4-benzo[b][1]benzazepin-11-ylbutan-1-ol

C18H19NO — CID 10869189

IUPAC4-benzo[b][1]benzazepin-11-ylbutan-1-ol
SMILESOCCCCN1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C18H19NO/c20-14-6-5-13-19-17-9-3-1-7-15(17)11-12-16-8-2-4-10-18(16)19/h1-4,7-12,20H,5-6,13-14H2
InChIKeyGQXLPVVVOGQUHK-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.08
Rot. Bonds4

About 4-benzo[b][1]benzazepin-11-ylbutan-1-ol

4-benzo[b][1]benzazepin-11-ylbutan-1-ol (PubChem CID 10869189) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-benzo[b][1]benzazepin-11-ylbutan-1-ol.

Molecular Properties

Compound Name4-benzo[b][1]benzazepin-11-ylbutan-1-ol
PubChem CID10869189
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name4-benzo[b][1]benzazepin-11-ylbutan-1-ol
SMILESOCCCCN1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C18H19NO/c20-14-6-5-13-19-17-9-3-1-7-15(17)11-12-16-8-2-4-10-18(16)19/h1-4,7-12,20H,5-6,13-14H2
InChIKeyGQXLPVVVOGQUHK-UHFFFAOYSA-N
XLogP4.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol
CID 9417
2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol;hydrochloride
CID 22313116
2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)-1,4-dioxidopiperazine-1,4-diium-1-yl]ethanol
CID 129318553
3-benzo[b][1]benzazepin-11-yl-N-(trideuteriomethyl)propan-1-amine
CID 126456237
2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
CID 21468228
bis((Z)-but-2-enedioic acid);11-[4-(4-methylpiperazin-1-yl)butyl]benzo[b][1]benzazepine
CID 25111222
2-benzo[b][1]benzazepin-11-yl-N,N-dimethylethanamine;hydrochloride
CID 3069671
11-[3-(4-methyl-1,4-diazepan-1-yl)propyl]benzo[b][1]benzazepine
CID 110175014
1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one
CID 43509835
2-(3-benzo[b][1]benzazepin-11-ylpropylamino)pyridine-3-carboxylic acid
CID 110169092
4-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)-1,4-diazepan-1-yl]butyl benzoate
CID 110175078
11-prop-2-ynylbenzo[b][1]benzazepine
CID 139083428

Frequently Asked Questions

What is the IUPAC name of 4-benzo[b][1]benzazepin-11-ylbutan-1-ol?
The IUPAC name of 4-benzo[b][1]benzazepin-11-ylbutan-1-ol (CID 10869189) is 4-benzo[b][1]benzazepin-11-ylbutan-1-ol.
What is the SMILES notation for 4-benzo[b][1]benzazepin-11-ylbutan-1-ol?
The canonical SMILES for 4-benzo[b][1]benzazepin-11-ylbutan-1-ol is OCCCCN1c2ccccc2C=Cc2ccccc21.
What is the InChIKey of 4-benzo[b][1]benzazepin-11-ylbutan-1-ol?
The InChIKey is GQXLPVVVOGQUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c20-14-6-5-13-19-17-9-3-1-7-15(17)11-12-16-8-2-4-10-18(16)19/h1-4,7-12,20H,5-6,13-14H2.
What are the key properties of 4-benzo[b][1]benzazepin-11-ylbutan-1-ol?
4-benzo[b][1]benzazepin-11-ylbutan-1-ol has a molecular weight of 265.36 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzo[b][1]benzazepin-11-ylbutan-1-ol is sourced from PubChem (CID 10869189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).