Names and identifiers
- IUPAC name
- hydroxide
- Synonyms
- OH-, hydroxide ion, hydroxyl ion
+ 30 more
oxidanide, 9159UV381P, DTXSID8074281, CHEBI:16234, Hydroxide Ions, RefChem:98, OHTrust Nano Ion Water, OHTrust Mouth And Nasal Relief, DTXCID0034649, Hydroxide anion, Hydroxyl anion, Hydroxy ion, Hydroxy anion, Hydroxide(1-), Hydroxide ion(1-), hydridooxygenate(1-), Hydroxyl ion (OH1-), OH, a hydroxyl group, UNII-9159UV381P, water ion(1-), water, ion(1-), Oxygen ion (O1-), Hydroxide (8CI,9CI), OH(-), DB14522, C01328, Q199877, Q27109967, HO-
- Molecular formula
- HO-
- Empirical formula
- HO
- Molecular weight
- 17.007 g/mol
- Exact mass
- 17.00274
- CAS number
- 14280-30-9
- PubChem CID
- 961
- Canonical SMILES
- [OH-]
- Isomeric SMILES
- [OH-]
- InChI
- InChI=1S/H2O/h1H2/p-1
- InChIKey
- XLYOFNOQVPJJNP-UHFFFAOYSA-M
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Calculated
- Heavy atoms
- 1
- Rings
- 0
- Aromatic rings
- 0
- Fraction sp³ carbons (Fsp3)
- 0
- H-bond donors
- 0 computed here · PubChem 1
- H-bond acceptors
- 1
- Rotatable bonds
- 0
- TPSA (Ų)
- 30 computed here · PubChem 1
- Formal charge
- -1
- XLogP3
- -0.6 PubChem
- Complexity
- 0 PubChem
- Stereocenters
- None
- Double-bond geometry
- None specified
- Point group
- C∞v of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- H5.93%
- O94.07%
Isotope pattern
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
- -0.18 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- 0.17 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 8.48 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 17.01
- log P ≤ 5 (Crippen): -0.18
- H-bond donors ≤ 5: 0
- H-bond acceptors ≤ 10: 1
Passes all four rules.
Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.
Safety
No GHS hazard classification was found in the sources.
Safety data sheets on the supplier’s page: RR Scientific, EvitaChem, BOC Sciences.
Always read the supplier’s safety data sheet before working with it.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.