4,7-Dimethyl-3-phenylcoumarin
Basic information
- CAS
218932-55-9- Standard SMILES
Cc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1- InChIKey
WSPZLPMSNLJMGL-UHFFFAOYSA-N- Molecular formula
- C17H14O2
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.09937969
Names & identifiers
- Preferred name
- 4,7-Dimethyl-3-phenylcoumarin
- IUPAC
- 4,7-dimethyl-3-phenylchromen-2-one
- English name
- 4,7-DIMETHYL-3-PHENYLCOUMARIN
- Molecular formula
- C17H14O2
- Molecular weight
- 250.29
Names & synonyms
4,7-DIMETHYL-3-PHENYLCOUMARIN4,7-dimethyl-3-phenylchromen-2-one218932-55-9TimTec1_006394WSPZLPMSNLJMGL-UHFFFAOYSA-NDTXSID501369783HMS1552C14AKOS024282767ST0584382H-1-Benzopyran-2-one, 4,7-dimethyl-3-phenyl-
Database identifiers
- CAS
218932-55-9- PubChem CID
- 688952
- DTXSID
DTXSID501369783
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Melting point
- 142 °C · 142 °C(Solv: ethanol (64-17-5))
- Boiling point
- 423.4 · 423.4±34.0 °C(Predicted)
- Density
- 1.172 · 1.172±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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