Basic information
- Standard SMILES
C=C[C@@H](C1=CC(=O)C(OC)=CC1=O)c1ccc(O)cc1- InChIKey
DLCVFIMWFKVRTM-GFCCVEGCSA-N- Molecular formula
- C16H14O4
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.08920893
Overview
(+)-4'-Hydroxy-4-methoxydalbergione has been reported in Dalbergia odorifera with data available.
Names & identifiers
- Preferred name
- 2-[(1R)-1-(4-hydroxyphenyl)prop-2-enyl]-5-methoxycyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2-[(1R)-1-(4-hydroxyphenyl)prop-2-enyl]-5-methoxycyclohexa-2,5-diene-1,4-dione
Database identifiers
- Nikkaji
- J63.351H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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