1-Methoxy-4,4-dimethyl-1-phenylisochromen-3-one
Basic information
- CAS
14596-91-9- Standard SMILES
COC1(c2ccccc2)OC(=O)C(C)(C)c2ccccc21- InChIKey
DLGVXTXRUACOQS-UHFFFAOYSA-N- Molecular formula
- C18H18O3
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.12559443
Names & identifiers
- Preferred name
- 1-Methoxy-4,4-dimethyl-1-phenylisochromen-3-one
- IUPAC
- 1-methoxy-4,4-dimethyl-1-phenylisochromen-3-one
Names & synonyms
14596-91-91-methoxy-4,4-dimethyl-1-phenylisochromen-3-oneNSC171738DTXSID80305828NSC-1717381-Methoxy-4,4-dimethyl-1-phenyl-1,4-dihydro-3H-2-benzopyran-3-one
Database identifiers
- CAS
14596-91-9- PubChem CID
- 299266
- DTXSID
DTXSID80305828
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 397
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Compound notes
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