(2R)-2-phenyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-5-one

C18H19NO2 — CID 95987150

IUPAC(2R)-2-phenyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-5-one
SMILESCC(C)N1C[C@@H](c2ccccc2)Oc2ccccc2C1=O
InChIInChI=1S/C18H19NO2/c1-13(2)19-12-17(14-8-4-3-5-9-14)21-16-11-7-6-10-15(16)18(19)20/h3-11,13,17H,12H2,1-2H3/t17-/m0/s1
InChIKeyCKWQGPUUTCWKQT-KRWDZBQOSA-N
MW281.36 g/mol
LogP3.67
Rot. Bonds2

About (2R)-2-phenyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-5-one

(2R)-2-phenyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-5-one (PubChem CID 95987150) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2R)-2-phenyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-5-one.

Molecular Properties

Compound Name(2R)-2-phenyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-5-one
PubChem CID95987150
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(2R)-2-phenyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-5-one
SMILESCC(C)N1C[C@@H](c2ccccc2)Oc2ccccc2C1=O
InChIInChI=1S/C18H19NO2/c1-13(2)19-12-17(14-8-4-3-5-9-14)21-16-11-7-6-10-15(16)18(19)20/h3-11,13,17H,12H2,1-2H3/t17-/m0/s1
InChIKeyCKWQGPUUTCWKQT-KRWDZBQOSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-phenyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-5-one
CID 95987149
ethane;2-phenyl-2,3-dihydrochromen-4-one
CID 91018475
2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 2802466
(2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one
CID 70503591
1-methyl-2H-pyridine;2-phenyl-2,3-dihydrochromen-4-one
CID 67327231
2-phenyl-2,3-dihydrochromen-4-one;1-phenylheptylbenzene
CID 175180869
[4-(4-oxo-2,3-dihydrochromen-2-yl)phenyl] thiohypochlorite
CID 21276850
7-chloro-5-oxo-2-phenyl-2,3-dihydro-1,4-benzoxazepine-4-carbaldehyde
CID 10542354
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one
CID 68519073
4-[(2R)-4-oxo-2,3-dihydrochromen-2-yl]benzonitrile
CID 25136970
2-cyclohexa-1,3-dien-1-yl-2,3-dihydrochromen-4-one
CID 163729895
(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one
CID 71059551

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-5-one?
The IUPAC name of (2R)-2-phenyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-5-one (CID 95987150) is (2R)-2-phenyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-5-one.
What is the SMILES notation for (2R)-2-phenyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-5-one?
The canonical SMILES for (2R)-2-phenyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-5-one is CC(C)N1C[C@@H](c2ccccc2)Oc2ccccc2C1=O.
What is the InChIKey of (2R)-2-phenyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-5-one?
The InChIKey is CKWQGPUUTCWKQT-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13(2)19-12-17(14-8-4-3-5-9-14)21-16-11-7-6-10-15(16)18(19)20/h3-11,13,17H,12H2,1-2H3/t17-/m0/s1.
What are the key properties of (2R)-2-phenyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-5-one?
(2R)-2-phenyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-5-one has a molecular weight of 281.36 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-5-one is sourced from PubChem (CID 95987150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).