4-(4-chlorophenoxy)-3-hydroxybenzonitrile

C13H8ClNO2 — CID 135373937

IUPAC4-(4-chlorophenoxy)-3-hydroxybenzonitrile
SMILESN#Cc1ccc(Oc2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C13H8ClNO2/c14-10-2-4-11(5-3-10)17-13-6-1-9(8-15)7-12(13)16/h1-7,16H
InChIKeyKPZLIGWBHUYRDH-UHFFFAOYSA-N
MW245.67 g/mol
LogP3.71
Rot. Bonds2

About 4-(4-chlorophenoxy)-3-hydroxybenzonitrile

4-(4-chlorophenoxy)-3-hydroxybenzonitrile (PubChem CID 135373937) has the molecular formula C13H8ClNO2 and a molecular weight of 245.67 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-3-hydroxybenzonitrile.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-3-hydroxybenzonitrile
PubChem CID135373937
Molecular FormulaC13H8ClNO2
Molecular Weight245.67 g/mol
Exact Mass245.02
IUPAC Name4-(4-chlorophenoxy)-3-hydroxybenzonitrile
SMILESN#Cc1ccc(Oc2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C13H8ClNO2/c14-10-2-4-11(5-3-10)17-13-6-1-9(8-15)7-12(13)16/h1-7,16H
InChIKeyKPZLIGWBHUYRDH-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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Related Compounds

argon;4-(4-chlorophenoxy)benzonitrile
CID 158538207
3-hydroxy-4-(3-methylphenoxy)benzonitrile
CID 143183163
2-(4-chlorophenoxy)-5-nitrophenol
CID 150663089
4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile
CID 143183176
3-chloro-4-(4-iodophenoxy)benzonitrile
CID 55221862
4-[5-chloro-2-(hydroxymethyl)phenoxy]benzonitrile
CID 114846043
3-hydroxy-4-methoxybenzonitrile;methanol
CID 174363107
4-(3,4-dichlorophenoxy)-3-fluorobenzonitrile
CID 54897766
3-(5-chloro-2-hydroxyphenyl)-4-methoxybenzonitrile
CID 106951592
4-(2,5-difluorophenoxy)benzonitrile
CID 63269334
3-chloro-4-(4-cyanophenoxy)benzenesulfonamide
CID 61374077
4-(4-cyano-2-fluorophenoxy)benzamide
CID 43657479

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-3-hydroxybenzonitrile?
The IUPAC name of 4-(4-chlorophenoxy)-3-hydroxybenzonitrile (CID 135373937) is 4-(4-chlorophenoxy)-3-hydroxybenzonitrile.
What is the SMILES notation for 4-(4-chlorophenoxy)-3-hydroxybenzonitrile?
The canonical SMILES for 4-(4-chlorophenoxy)-3-hydroxybenzonitrile is N#Cc1ccc(Oc2ccc(Cl)cc2)c(O)c1.
What is the InChIKey of 4-(4-chlorophenoxy)-3-hydroxybenzonitrile?
The InChIKey is KPZLIGWBHUYRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO2/c14-10-2-4-11(5-3-10)17-13-6-1-9(8-15)7-12(13)16/h1-7,16H.
What are the key properties of 4-(4-chlorophenoxy)-3-hydroxybenzonitrile?
4-(4-chlorophenoxy)-3-hydroxybenzonitrile 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 4-(4-chlorophenoxy)-3-hydroxybenzonitrile is sourced from PubChem (CID 135373937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).