8-methoxy-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one

C16H15NO3 — CID 10400879

IUPAC8-methoxy-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one
SMILESCOc1ccc2c(c1)OC(c1ccccc1)CNC2=O
InChIInChI=1S/C16H15NO3/c1-19-12-7-8-13-14(9-12)20-15(10-17-16(13)18)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3,(H,17,18)
InChIKeyMCNSSHMIQBBMCP-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.56
Rot. Bonds2

About 8-methoxy-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one

8-methoxy-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one (PubChem CID 10400879) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 8-methoxy-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one.

Molecular Properties

Compound Name8-methoxy-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one
PubChem CID10400879
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name8-methoxy-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one
SMILESCOc1ccc2c(c1)OC(c1ccccc1)CNC2=O
InChIInChI=1S/C16H15NO3/c1-19-12-7-8-13-14(9-12)20-15(10-17-16(13)18)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3,(H,17,18)
InChIKeyMCNSSHMIQBBMCP-UHFFFAOYSA-N
XLogP2.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 102196486
2-(furan-2-yl)-7-methoxy-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 22760007
4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid
CID 93179406
2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672605
2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672505
2-methylpropane;(5R)-5-phenyl-1,3-oxazolidin-2-one
CID 158495868
5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one
CID 82367269
(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104948683
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729
(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 40595579
2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 73299305
7-methoxy-2-(1-phenylethyl)-2,3-dihydrochromen-4-one
CID 114672307

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
The IUPAC name of 8-methoxy-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one (CID 10400879) is 8-methoxy-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one.
What is the SMILES notation for 8-methoxy-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
The canonical SMILES for 8-methoxy-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one is COc1ccc2c(c1)OC(c1ccccc1)CNC2=O.
What is the InChIKey of 8-methoxy-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
The InChIKey is MCNSSHMIQBBMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-19-12-7-8-13-14(9-12)20-15(10-17-16(13)18)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3,(H,17,18).
What are the key properties of 8-methoxy-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
8-methoxy-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one has a molecular weight of 269.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one is sourced from PubChem (CID 10400879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).