6-Ethoxy-4-methyl-3-phenylcoumarin
Basic information
- Standard SMILES
CCOc1ccc2oc(=O)c(-c3ccccc3)c(C)c2c1- InChIKey
CHIWAOUCHWQWAQ-UHFFFAOYSA-N- Molecular formula
- C18H16O3
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.10994437
Names & identifiers
- Preferred name
- 6-Ethoxy-4-methyl-3-phenylcoumarin
- IUPAC
- 6-ethoxy-4-methyl-3-phenylchromen-2-one
Names & synonyms
6-ETHOXY-4-METHYL-3-PHENYLCOUMARIN263365-04-46-ethoxy-4-methyl-3-phenylchromen-2-one6-ethoxy-4-methyl-3-phenyl-2H-chromen-2-oneSCHEMBL7123969CHIWAOUCHWQWAQ-UHFFFAOYSA-NDTXSID701372691STL033565AKOS002068600NCGC00317949-01ST50308866AB01312186-01
Show more names
6-ethoxy-4-methyl-3-phenyl-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 6-ethoxy-4-methyl-3-phenyl-
Database identifiers
- PubChem CID
- 688941
- DTXSID
DTXSID701372691
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 420
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Related reactions
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Compound notes
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