1-[4-Hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]ethanone
Basic information
- CAS
5438-55-1- Standard SMILES
C=CCc1cc(C(C)=O)cc(OC)c1O- InChIKey
CHHFXWGARSXQNF-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.0942943
Names & identifiers
- Preferred name
- 1-[4-Hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]ethanone
- IUPAC
- 1-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)ethanone
Names & synonyms
5438-55-11-[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]ethanone1-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)ethanoneNSC16702SCHEMBL9421955DTXSID70280392NSC-167021-[4-Hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]ethan-1-one
Database identifiers
- CAS
5438-55-1- PubChem CID
- 226328
- DTXSID
DTXSID70280392
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
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Compound notes
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