Molecular properties
- Formula
- C8H8O3
- Molar mass
- 152.15 g·mol−1
- Exact mass
- 152.0473 Da
- 5
- 1
- 3
- 46.50 Ų
- 1.2 (PubChem computed XLogP3-AA descriptor)
- CAS
- 121-33-5
- PubChem CID
- 1183
Molecule record
Vanillin
C8H8O3
152.15 g/mol
Show IUPAC name
IUPAC name
4-hydroxy-3-methoxybenzaldehyde
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
Alkene
Aromatic ring
Ether
Phenol
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 1.2 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 121-33-5
- 2-Methoxy-4-formylphenol
- 3-Methoxy-4-hydroxybenzaldehyde
- 4-Formyl-2-methoxyphenol
- 4-Hydroxy-3-methoxy-benzaldehyde
- 4-Hydroxy-5-methoxybenzaldehyde
- 4-Hydroxy-m-anisaldehyde
- Benzaldehyde, 4-hydroxy-3-methoxy-
Show all 22 synonyms
- FEMA No. 3107
- Lioxin
- Methylprotocatechuic aldehyde
- Protocatechualdehyde 3-methyl ether
- Protocatechualdehyde, methyl-
- Rhovanil
- Vanillaldehyde
- Vanillic aldehyde
- Vanilline
- Zimco
- m-Anisaldehyde, 4-hydroxy-
- p-Hydroxy-m-methoxybenzaldehyde
- p-Vanillin
- vaniline
Structure identifiers
- Canonical SMILES
- COC1=C(C=CC(=C1)C=O)O
- Isomeric SMILES
- COC1=C(C=CC(=C1)C=O)O
- InChI
- InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
- InChIKey
- MWOOGOJBHIARFG-UHFFFAOYSA-N
- PubChem CID
- 1183
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)
1100 cm−1C-O ether (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for Vanillin; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for Vanillin; not experimental data.
Related molecules
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.