8-chloro-7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile

C17H10ClNO2 — CID 10236450

IUPAC8-chloro-7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile
SMILESN#Cc1cc(-c2ccc(O)cc2)cc2ccc(O)c(Cl)c12
InChIInChI=1S/C17H10ClNO2/c18-17-15(21)6-3-11-7-12(8-13(9-19)16(11)17)10-1-4-14(20)5-2-10/h1-8,20-21H
InChIKeyZOCBCFXUQAYMNS-UHFFFAOYSA-N
MW295.73 g/mol
LogP4.44
Rot. Bonds1

About 8-chloro-7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile

8-chloro-7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile (PubChem CID 10236450) has the molecular formula C17H10ClNO2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 8-chloro-7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name8-chloro-7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile
PubChem CID10236450
Molecular FormulaC17H10ClNO2
Molecular Weight295.73 g/mol
Exact Mass295.04
IUPAC Name8-chloro-7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile
SMILESN#Cc1cc(-c2ccc(O)cc2)cc2ccc(O)c(Cl)c12
InChIInChI=1S/C17H10ClNO2/c18-17-15(21)6-3-11-7-12(8-13(9-19)16(11)17)10-1-4-14(20)5-2-10/h1-8,20-21H
InChIKeyZOCBCFXUQAYMNS-UHFFFAOYSA-N
XLogP4.44
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-chloro-7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile?
The IUPAC name of 8-chloro-7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile (CID 10236450) is 8-chloro-7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile.
What is the SMILES notation for 8-chloro-7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile?
The canonical SMILES for 8-chloro-7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile is N#Cc1cc(-c2ccc(O)cc2)cc2ccc(O)c(Cl)c12.
What is the InChIKey of 8-chloro-7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile?
The InChIKey is ZOCBCFXUQAYMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClNO2/c18-17-15(21)6-3-11-7-12(8-13(9-19)16(11)17)10-1-4-14(20)5-2-10/h1-8,20-21H.
What are the key properties of 8-chloro-7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile?
8-chloro-7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile has a molecular weight of 295.73 g/mol, XLogP of 4.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile is sourced from PubChem (CID 10236450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).