4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-methoxy-3-phenyl-
Basic information
- CAS
20972-97-8- Standard SMILES
COc1ccc2c(c1)C(=O)N(c1ccccc1)CO2- InChIKey
RCENMZAEUSQVFQ-UHFFFAOYSA-N- Molecular formula
- C15H13NO3
- Average molar mass
- 255.27 g/mol
- Monoisotopic mass
- 255.08954328
Names & identifiers
- Preferred name
- 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-methoxy-3-phenyl-
- IUPAC
- 6-methoxy-3-phenyl-2H-1,3-benzoxazin-4-one
Names & synonyms
BRN 15870324H-1,3-BENZOXAZIN-4-ONE, 2,3-DIHYDRO-6-METHOXY-3-PHENYL-DTXSID7017515320972-97-82,3-Dihydro-6-methoxy-3-phenyl-4H-1,3-benzoxazin-4-oneRefChem:297028DTXCID70976446-methoxy-3-phenyl-2,3-dihydro-4H-1,3-benzoxazin-4-one
Database identifiers
- CAS
20972-97-8- PubChem CID
- 30402
- DTXSID
DTXSID70175153- Nikkaji
- J67.834A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 327
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Compound notes
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