Basic information
- CAS
86338-39-8- Standard SMILES
COc1ccc(/C=C/C(=O)c2c(C)cc(OC)cc2O)cc1- InChIKey
LYMWSQMDJGOAIY-RMKNXTFCSA-N- Molecular formula
- C18H18O4
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.12050905
Names & identifiers
- Preferred name
- (E)-1-(2-hydroxy-4-methoxy-6-methylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
- IUPAC
- (E)-1-(2-hydroxy-4-methoxy-6-methylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Names & synonyms
Ro 09-069886338-39-8SCHEMBL25202036
Database identifiers
- CAS
86338-39-8- PubChem CID
- 6450488
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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