(3-benzo[b][1]benzazepin-11-ylphenyl)methanol

C21H17NO — CID 139983919

IUPAC(3-benzo[b][1]benzazepin-11-ylphenyl)methanol
SMILESOCc1cccc(N2c3ccccc3C=Cc3ccccc32)c1
InChIInChI=1S/C21H17NO/c23-15-16-6-5-9-19(14-16)22-20-10-3-1-7-17(20)12-13-18-8-2-4-11-21(18)22/h1-14,23H,15H2
InChIKeyYBIRFZLCMBPCAW-UHFFFAOYSA-N
MW299.37 g/mol
LogP5.13
Rot. Bonds2

About (3-benzo[b][1]benzazepin-11-ylphenyl)methanol

(3-benzo[b][1]benzazepin-11-ylphenyl)methanol (PubChem CID 139983919) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is (3-benzo[b][1]benzazepin-11-ylphenyl)methanol.

Molecular Properties

Compound Name(3-benzo[b][1]benzazepin-11-ylphenyl)methanol
PubChem CID139983919
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name(3-benzo[b][1]benzazepin-11-ylphenyl)methanol
SMILESOCc1cccc(N2c3ccccc3C=Cc3ccccc32)c1
InChIInChI=1S/C21H17NO/c23-15-16-6-5-9-19(14-16)22-20-10-3-1-7-17(20)12-13-18-8-2-4-11-21(18)22/h1-14,23H,15H2
InChIKeyYBIRFZLCMBPCAW-UHFFFAOYSA-N
XLogP5.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.37
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-[3-(hydroxymethyl)phenyl]-3-methylpyrrole-2,5-dione
CID 61207713
11-(21-benzo[b][1]benzazepin-11-yl-3,3,24,24-tetramethyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)benzo[b][1]benzazepine
CID 59181668
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phenylmethanol;tungsten
CID 166544439
phenylmethanol;zirconium
CID 18688174

Frequently Asked Questions

What is the IUPAC name of (3-benzo[b][1]benzazepin-11-ylphenyl)methanol?
The IUPAC name of (3-benzo[b][1]benzazepin-11-ylphenyl)methanol (CID 139983919) is (3-benzo[b][1]benzazepin-11-ylphenyl)methanol.
What is the SMILES notation for (3-benzo[b][1]benzazepin-11-ylphenyl)methanol?
The canonical SMILES for (3-benzo[b][1]benzazepin-11-ylphenyl)methanol is OCc1cccc(N2c3ccccc3C=Cc3ccccc32)c1.
What is the InChIKey of (3-benzo[b][1]benzazepin-11-ylphenyl)methanol?
The InChIKey is YBIRFZLCMBPCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c23-15-16-6-5-9-19(14-16)22-20-10-3-1-7-17(20)12-13-18-8-2-4-11-21(18)22/h1-14,23H,15H2.
What are the key properties of (3-benzo[b][1]benzazepin-11-ylphenyl)methanol?
(3-benzo[b][1]benzazepin-11-ylphenyl)methanol has a molecular weight of 299.37 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzo[b][1]benzazepin-11-ylphenyl)methanol is sourced from PubChem (CID 139983919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).