2-(4-chloro-2-hydroxyphenoxy)benzonitrile

C13H8ClNO2 — CID 71699771

IUPAC2-(4-chloro-2-hydroxyphenoxy)benzonitrile
SMILESN#Cc1ccccc1Oc1ccc(Cl)cc1O
InChIInChI=1S/C13H8ClNO2/c14-10-5-6-13(11(16)7-10)17-12-4-2-1-3-9(12)8-15/h1-7,16H
InChIKeyHBMWIBPJWDRCHH-UHFFFAOYSA-N
MW245.67 g/mol
LogP3.71
Rot. Bonds2

About 2-(4-chloro-2-hydroxyphenoxy)benzonitrile

2-(4-chloro-2-hydroxyphenoxy)benzonitrile (PubChem CID 71699771) has the molecular formula C13H8ClNO2 and a molecular weight of 245.67 g/mol. Its IUPAC name is 2-(4-chloro-2-hydroxyphenoxy)benzonitrile.

Molecular Properties

Compound Name2-(4-chloro-2-hydroxyphenoxy)benzonitrile
PubChem CID71699771
Molecular FormulaC13H8ClNO2
Molecular Weight245.67 g/mol
Exact Mass245.02
IUPAC Name2-(4-chloro-2-hydroxyphenoxy)benzonitrile
SMILESN#Cc1ccccc1Oc1ccc(Cl)cc1O
InChIInChI=1S/C13H8ClNO2/c14-10-5-6-13(11(16)7-10)17-12-4-2-1-3-9(12)8-15/h1-7,16H
InChIKeyHBMWIBPJWDRCHH-UHFFFAOYSA-N
XLogP3.71
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-hydroxyphenoxy)benzonitrile?
The IUPAC name of 2-(4-chloro-2-hydroxyphenoxy)benzonitrile (CID 71699771) is 2-(4-chloro-2-hydroxyphenoxy)benzonitrile.
What is the SMILES notation for 2-(4-chloro-2-hydroxyphenoxy)benzonitrile?
The canonical SMILES for 2-(4-chloro-2-hydroxyphenoxy)benzonitrile is N#Cc1ccccc1Oc1ccc(Cl)cc1O.
What is the InChIKey of 2-(4-chloro-2-hydroxyphenoxy)benzonitrile?
The InChIKey is HBMWIBPJWDRCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO2/c14-10-5-6-13(11(16)7-10)17-12-4-2-1-3-9(12)8-15/h1-7,16H.
What are the key properties of 2-(4-chloro-2-hydroxyphenoxy)benzonitrile?
2-(4-chloro-2-hydroxyphenoxy)benzonitrile has a molecular weight of 245.67 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-hydroxyphenoxy)benzonitrile is sourced from PubChem (CID 71699771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).