Basic information
- CAS
1941-12-4- Standard SMILES
C=CCc1cccc(O)c1OC- InChIKey
HKHVWTUGAJEQNP-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- 2-Methoxy-3-(2-propenyl)phenol
- IUPAC
- 2-methoxy-3-prop-2-enylphenol
- English name
- Phenol, 2-methoxy-3-(2-propenyl)
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
1941-12-42-Methoxy-3-(2-propenyl)phenolDTXSID70344382RefChem:1063564DTXCID802954573-Allylguaiacol2-METHOXY-3-(PROP-2-EN-1-YL)PHENOL3-Allyl-2-methoxyphenol #phenol, 3-allyl-2-methoxy-SCHEMBL3739900HKHVWTUGAJEQNP-UHFFFAOYSA-N2-methoxy-3-(2-propenyl)-phenol
Show more names
Phenol, 2-methoxy-3-(2-propenyl)Phenyl, 2-methoxy-3-(2-propenyl)-Phenol, 2-methoxy-3-(2-propen-1-yl)-
Phenol, 2-methoxy-3-(2-propenyl)-phenol, 2-methoxyl-3-(2-propenyl)-NS00095801
Database identifiers
- CAS
1941-12-4- PubChem CID
- 596373
- DTXSID
DTXSID70344382- Nikkaji
- J2.284.093B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Melting point
- 92 · 92-93 °C
- Boiling point
- 119 · 119-120 °C(Press: 12 Torr)
- Density
- 1.0762 g/cm3 · 1.0762 g/cm3(Temp: 16 °C)
- pka
- 10 · 10.00±0.10(Predicted)
Chemistry & industry
Applications
Uses3-Allylguaiacol is found in Satureja khuzistanica jamzad essential oil, and is shown to have antibacterial and anticancer activities.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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