2-(4-Ethoxyphenyl)-3-phenyl-2,3-dihydro-4H-1,3-benzoxazin-4-one
Basic information
- CAS
20973-42-6- Standard SMILES
CCOc1ccc(C2Oc3ccccc3C(=O)N2c2ccccc2)cc1- InChIKey
KMCPXYCBEHQQKI-UHFFFAOYSA-N- Molecular formula
- C22H19NO3
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.13649347
Names & identifiers
- Preferred name
- 2-(4-Ethoxyphenyl)-3-phenyl-2,3-dihydro-4H-1,3-benzoxazin-4-one
- IUPAC
- 2-(4-ethoxyphenyl)-3-phenyl-2H-1,3-benzoxazin-4-one
- English name
- 2-(4-Ethoxyphenyl)-3-phenyl-2H-1,3-benzoxazin-4(3H)-one
- Molecular formula
- C22H19NO3
- Molecular weight
- 345.39
Names & synonyms
20973-42-6DTXSID609432672-(4-ethoxyphenyl)-3-phenyl-2,3-dihydro-4H-1,3-benzoxazin-4-oneRefChem:1061236DTXCID301371639BRN 15939562-(p-Ethoxyphenyl)-2,3-dihydro-3-phenyl-4H-1,3-benzoxazin-4-one2-(4-Ethoxyphenyl)-3-phenyl-2H-1,3-benzoxazin-4(3H)-one4H-1,3-BENZOXAZIN-4-ONE, 2-(p-ETHOXYPHENYL)-2,3-DIHYDRO-3-PHENYL-4H-1,3-Benzoxazin-4-one, 2-(4-ethoxyphenyl)-2,3-dihydro-3-phenyl-
Database identifiers
- CAS
20973-42-6- PubChem CID
- 30410
- DTXSID
DTXSID60943267- Nikkaji
- J67.846E
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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