5-[hydroxy(phenyl)methyl]-2,5-dimethyl-1,4-dihydro-2-benzazepin-3-one

C19H21NO2 — CID 11300907

IUPAC5-[hydroxy(phenyl)methyl]-2,5-dimethyl-1,4-dihydro-2-benzazepin-3-one
SMILESCN1Cc2ccccc2C(C)(C(O)c2ccccc2)CC1=O
InChIInChI=1S/C19H21NO2/c1-19(18(22)14-8-4-3-5-9-14)12-17(21)20(2)13-15-10-6-7-11-16(15)19/h3-11,18,22H,12-13H2,1-2H3
InChIKeyREHAUIUTDRWCIE-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.04
Rot. Bonds2

About 5-[hydroxy(phenyl)methyl]-2,5-dimethyl-1,4-dihydro-2-benzazepin-3-one

5-[hydroxy(phenyl)methyl]-2,5-dimethyl-1,4-dihydro-2-benzazepin-3-one (PubChem CID 11300907) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 5-[hydroxy(phenyl)methyl]-2,5-dimethyl-1,4-dihydro-2-benzazepin-3-one.

Molecular Properties

Compound Name5-[hydroxy(phenyl)methyl]-2,5-dimethyl-1,4-dihydro-2-benzazepin-3-one
PubChem CID11300907
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name5-[hydroxy(phenyl)methyl]-2,5-dimethyl-1,4-dihydro-2-benzazepin-3-one
SMILESCN1Cc2ccccc2C(C)(C(O)c2ccccc2)CC1=O
InChIInChI=1S/C19H21NO2/c1-19(18(22)14-8-4-3-5-9-14)12-17(21)20(2)13-15-10-6-7-11-16(15)19/h3-11,18,22H,12-13H2,1-2H3
InChIKeyREHAUIUTDRWCIE-UHFFFAOYSA-N
XLogP3.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,5-trimethyl-1,4-dihydro-2-benzazepin-3-one
CID 11481120
(2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclopentan-1-one
CID 101389866
(2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclohexan-1-one
CID 101389868
2-[hydroxy(phenyl)methyl]-2,4-dimethylmorpholin-3-one
CID 56691290
[(1R)-1-methylinden-1-yl]-phenylmethanol
CID 10944441
1-methyl-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
CID 167456229
2,6-bis[hydroxy(phenyl)methyl]-2-methylcyclohexan-1-one
CID 10853441
2,4-dimethyl-1,3-dihydroisoquinolin-4-ol
CID 13117140
1'-(2-hydroxy-2-phenylethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 110026793
9-hydroxy-4-methyl-5H-1,4-benzoxazepin-3-one
CID 121207723
5-[hydroxy(phenyl)methyl]-1-methyl-5-phenylimidazolidine-2,4-dione
CID 14493358
11-cyclopropyl-5-methyl-6H-benzo[c][1]benzazepin-11-ol
CID 18917162

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy(phenyl)methyl]-2,5-dimethyl-1,4-dihydro-2-benzazepin-3-one?
The IUPAC name of 5-[hydroxy(phenyl)methyl]-2,5-dimethyl-1,4-dihydro-2-benzazepin-3-one (CID 11300907) is 5-[hydroxy(phenyl)methyl]-2,5-dimethyl-1,4-dihydro-2-benzazepin-3-one.
What is the SMILES notation for 5-[hydroxy(phenyl)methyl]-2,5-dimethyl-1,4-dihydro-2-benzazepin-3-one?
The canonical SMILES for 5-[hydroxy(phenyl)methyl]-2,5-dimethyl-1,4-dihydro-2-benzazepin-3-one is CN1Cc2ccccc2C(C)(C(O)c2ccccc2)CC1=O.
What is the InChIKey of 5-[hydroxy(phenyl)methyl]-2,5-dimethyl-1,4-dihydro-2-benzazepin-3-one?
The InChIKey is REHAUIUTDRWCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-19(18(22)14-8-4-3-5-9-14)12-17(21)20(2)13-15-10-6-7-11-16(15)19/h3-11,18,22H,12-13H2,1-2H3.
What are the key properties of 5-[hydroxy(phenyl)methyl]-2,5-dimethyl-1,4-dihydro-2-benzazepin-3-one?
5-[hydroxy(phenyl)methyl]-2,5-dimethyl-1,4-dihydro-2-benzazepin-3-one has a molecular weight of 295.38 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy(phenyl)methyl]-2,5-dimethyl-1,4-dihydro-2-benzazepin-3-one is sourced from PubChem (CID 11300907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).