Molecular properties
- Formula
- C6H6O2
- Molar mass
- 110.11 g·mol−1
- Exact mass
- 110.0368 Da
- 4
- 2
- 2
- 40.50 Ų
- 0.9 (PubChem computed XLogP3-AA descriptor)
- CAS
- 120-80-9
- PubChem CID
- 289
Molecule record
catechol
C6H6O2
110.11 g/mol
Interactions
- Polarity
- Often polar; exact polarity depends on size, substitution, and ionization state.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alcohol
Alkene
Aromatic ring
Phenol
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 0.9 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1,2-benzenediol
- 1,2-dihydroxybenzene
- 120-80-9
- 2-hydroxyphenol
- Benzene, o-dihydroxy-
- Catechin (phenol)
- Catechol (phenol)
- Durafur developer C
Show all 23 synonyms
- Fouramine PCH
- Fourrine 68
- Oxyphenic acid
- Pelagol Grey C
- Phthalhydroquinone
- Pyrocatechine
- benzene-1,2-diol
- o-Benzenediol
- o-Dihydroxybenzene
- o-Dioxybenzene
- o-Hydroquinone
- o-Hydroxyphenol
- o-Phenylenediol
- pyrocatechin
- pyrocatechol
Structure identifiers
- Canonical SMILES
- C1=CC=C(C(=C1)O)O
- Isomeric SMILES
- C1=CC=C(C(=C1)O)O
- InChI
- InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
- InChIKey
- YCIMNLLNPGFGHC-UHFFFAOYSA-N
- PubChem CID
- 289
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
3350 cm−1broad O-H (simulated)
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for catechol; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for catechol; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.