3-(5-chloro-2-hydroxyphenyl)-4-methoxybenzonitrile

C14H10ClNO2 — CID 106951592

IUPAC3-(5-chloro-2-hydroxyphenyl)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)cc1-c1cc(Cl)ccc1O
InChIInChI=1S/C14H10ClNO2/c1-18-14-5-2-9(8-16)6-12(14)11-7-10(15)3-4-13(11)17/h2-7,17H,1H3
InChIKeyOYYORXMVRIEWII-UHFFFAOYSA-N
MW259.69 g/mol
LogP3.59
Rot. Bonds2

About 3-(5-chloro-2-hydroxyphenyl)-4-methoxybenzonitrile

3-(5-chloro-2-hydroxyphenyl)-4-methoxybenzonitrile (PubChem CID 106951592) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxyphenyl)-4-methoxybenzonitrile.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxyphenyl)-4-methoxybenzonitrile
PubChem CID106951592
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name3-(5-chloro-2-hydroxyphenyl)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)cc1-c1cc(Cl)ccc1O
InChIInChI=1S/C14H10ClNO2/c1-18-14-5-2-9(8-16)6-12(14)11-7-10(15)3-4-13(11)17/h2-7,17H,1H3
InChIKeyOYYORXMVRIEWII-UHFFFAOYSA-N
XLogP3.59
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-chloro-2-hydroxyphenyl)-4-methoxybenzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-fluoro-3-(4-hydroxy-3-methoxyphenyl)benzonitrile
CID 53220839
3-(5-acetyl-2-fluorophenyl)-4-methoxybenzonitrile
CID 106951013
3-hydroxy-4-methoxybenzonitrile;methanol
CID 174363107
4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile
CID 2240004
4-(4-chloro-2-methoxyphenoxy)-3-(2-methoxy-3-pyridinyl)benzonitrile
CID 66666696
5-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
CID 103811217
4-(4-chlorophenoxy)-3-hydroxybenzonitrile
CID 135373937
4-(5-cyano-2-methoxyphenyl)-6-methylpyridine-3-carboxylic acid
CID 155342269
3-(6-amino-3,5-dichloro-2-pyridinyl)-4-methoxybenzonitrile
CID 106951535
5-(5-cyano-2-methoxyphenyl)-2,4-dimethylbenzoic acid
CID 107515777
4-[4-(4-chloro-2-methoxyphenyl)thiophen-3-yl]benzonitrile
CID 67255311
3-(6-chloro-5-methoxypyrimidin-4-yl)-4-methoxybenzonitrile
CID 106951422

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-4-methoxybenzonitrile?
The IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-4-methoxybenzonitrile (CID 106951592) is 3-(5-chloro-2-hydroxyphenyl)-4-methoxybenzonitrile.
What is the SMILES notation for 3-(5-chloro-2-hydroxyphenyl)-4-methoxybenzonitrile?
The canonical SMILES for 3-(5-chloro-2-hydroxyphenyl)-4-methoxybenzonitrile is COc1ccc(C#N)cc1-c1cc(Cl)ccc1O.
What is the InChIKey of 3-(5-chloro-2-hydroxyphenyl)-4-methoxybenzonitrile?
The InChIKey is OYYORXMVRIEWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c1-18-14-5-2-9(8-16)6-12(14)11-7-10(15)3-4-13(11)17/h2-7,17H,1H3.
What are the key properties of 3-(5-chloro-2-hydroxyphenyl)-4-methoxybenzonitrile?
3-(5-chloro-2-hydroxyphenyl)-4-methoxybenzonitrile has a molecular weight of 259.69 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxyphenyl)-4-methoxybenzonitrile is sourced from PubChem (CID 106951592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).