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Trityl ether

Athanor · official

C19H16O · 260.3 g/mol

IUPAC name: triphenylmethanol

Also called Tr, OTr, triphenylmethyl, trityl

Protecting groups
Open in Athanor
The structure of Trityl ether
Drawn from its SMILES with RDKit
Harmful or irritantWarningCauses skin irritation · Causes serious eye irritation · May cause respiratory irritation

Names and identifiers

IUPAC name
triphenylmethanol
Synonyms
Tr, OTr, triphenylmethyl
+ 40 more

trityl, TRIPHENYLMETHANOL, Triphenylcarbinol, Trityl alcohol, Tritanol, Triphenylmethyl alcohol, Methanol, triphenyl-, hydroxytriphenylmethane, Triphenyl-methanol, Benzenemethanol, .alpha.,.alpha.-diphenyl-, U97Q0OU9KB, Zidovudine impurity D, NSC 4050, NSC-4050, EINECS 200-988-5, Benzenemethanol, alpha,alpha-diphenyl-, TRIPHENYLCARBINOL [MI], AI3-08929, DTXSID0058803, TRIPHENYLMETHANOL [USP-RS], ZIDOVUDINE IMPURITY D [WHO-IP], ZIDOVUDINE IMPURITY D [EP IMPURITY], LOSARTAN POTASSIUM IMPURITY G [EP IMPURITY], TRIPHENYLMETHANOL (USP-RS), ZIDOVUDINE IMPURITY D (EP IMPURITY), LOSARTAN POTASSIUM IMPURITY G (EP IMPURITY), Methanol, triphenyl, RefChem:900003, Methanol, triphenyl (8CI), Methanol, triphenyl-(8CI), DTXCID9047835, alpha,alphaDiphenylbenzenemethanol, Benzenemethanol, alpha,alphadiphenyl, Triphenyl methanol, tritylalcohol, Fimasartan Impurity L, MFCD00004445, triphenyl carbinol, CHEMBL118166, LZTRCELOJRDYMQ-UHFFFAOYSA-

Molecular formula
C19H16O
Empirical formula
C19H15*O
Molecular weight
260.3 g/mol
Exact mass
260.12012
CAS number
76-84-6
PubChem CID
6457
Canonical SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
Isomeric SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C19H16O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H
InChIKey
LZTRCELOJRDYMQ-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

Appearance
Other Solid[1]

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms
20
Rings
3
Aromatic rings
3
Fraction sp³ carbons (Fsp3)
0.05
H-bond donors
0 computed here · PubChem 1
H-bond acceptors
1
Rotatable bonds
4 computed here · PubChem 3
TPSA (Ų)
9.2 computed here · PubChem 20.2
Formal charge
0
XLogP3
3.7 PubChem
Complexity
235 PubChem
Stereocenters
None
Double-bond geometry
None specified

Elemental analysis

  • C88.00%
  • H5.83%
  • *0.00%
  • O6.17%

Isotope pattern

100%259.11221%260.1162.3%261.119262.122

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
4.46 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-4.66 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
2.04 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 259.33
  • log P ≤ 5 (Crippen): 4.46
  • H-bond donors ≤ 5: 0
  • H-bond acceptors ≤ 10: 1

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Warning

Most widely reported: 114 company reports to ECHA. Source [2].

  • Harmful or irritant
  • H315Causes skin irritation (98.2% of reports)
  • H319Causes serious eye irritation (13.2% of reports)
  • H335May cause respiratory irritation (11.4% of reports)

Precautionary statements: P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

View all classifications (2)
  • [2] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 0.9% (1 of 114) of reports.
  • [2] European Chemicals Agency (ECHA) · 114 reports · WarningH315, H319, H335

Safety data sheets on the supplier’s page: Clearsynth, Hairui Chemical, BLD Pharm.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. [1]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
  2. [2]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  3. [3]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
  4. [4]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  5. [5]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  6. [6]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  7. [7]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  8. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  9. ·Literature on PubChem

Data last updated 2026-10-14.