5-Methoxy-4-methyl-3-phenylcoumarin
Basic information
- Standard SMILES
COc1cccc2oc(=O)c(-c3ccccc3)c(C)c12- InChIKey
UDWDTILHLNHXHN-UHFFFAOYSA-N- Molecular formula
- C17H14O3
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.0942943
Names & identifiers
- Preferred name
- 5-Methoxy-4-methyl-3-phenylcoumarin
- IUPAC
- 5-methoxy-4-methyl-3-phenylchromen-2-one
Names & synonyms
5-METHOXY-4-METHYL-3-PHENYLCOUMARIN54212-65-65-methoxy-4-methyl-3-phenylchromen-2-oneUDWDTILHLNHXHN-UHFFFAOYSA-NDTXSID101370097ST503089942H-1-Benzopyran-2-one, 5-methoxy-4-methyl-3-phenyl-
Database identifiers
- PubChem CID
- 688963
- DTXSID
DTXSID101370097
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 406
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Related reactions
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Compound notes
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