4-chloro-2-phenoxybenzonitrile

C13H8ClNO — CID 63093062

IUPAC4-chloro-2-phenoxybenzonitrile
SMILESN#Cc1ccc(Cl)cc1Oc1ccccc1
InChIInChI=1S/C13H8ClNO/c14-11-7-6-10(9-15)13(8-11)16-12-4-2-1-3-5-12/h1-8H
InChIKeyUWVGQIXUOWYMBO-UHFFFAOYSA-N
MW229.67 g/mol
LogP4.00
Rot. Bonds2

About 4-chloro-2-phenoxybenzonitrile

4-chloro-2-phenoxybenzonitrile (PubChem CID 63093062) has the molecular formula C13H8ClNO and a molecular weight of 229.67 g/mol. Its IUPAC name is 4-chloro-2-phenoxybenzonitrile.

Molecular Properties

Compound Name4-chloro-2-phenoxybenzonitrile
PubChem CID63093062
Molecular FormulaC13H8ClNO
Molecular Weight229.67 g/mol
Exact Mass229.03
IUPAC Name4-chloro-2-phenoxybenzonitrile
SMILESN#Cc1ccc(Cl)cc1Oc1ccccc1
InChIInChI=1S/C13H8ClNO/c14-11-7-6-10(9-15)13(8-11)16-12-4-2-1-3-5-12/h1-8H
InChIKeyUWVGQIXUOWYMBO-UHFFFAOYSA-N
XLogP4.00
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(3-chlorophenoxy)benzonitrile
CID 63512022
4-chloro-2-(4-nitrophenoxy)benzonitrile
CID 63092063
4,5-diphenoxybenzene-1,2-dicarbonitrile
CID 680327
5-chloro-2-(2-phenoxyethoxy)benzonitrile
CID 20989483
2-(5-chloro-2-iodophenoxy)benzonitrile
CID 142659292
4-chloro-2-(chloromethoxy)benzonitrile
CID 130564109
4-(3,4-diphenoxyphenoxy)benzene-1,2-dicarbonitrile
CID 15667750
4-chloro-2-(2,3-dimethylphenoxy)benzonitrile
CID 63511378
4-chloro-2-(3-chloro-4-nitrophenoxy)benzonitrile
CID 63093764
4-acetyl-2-(3-chlorophenoxy)benzonitrile
CID 146268738
4-chloro-2-ethoxybenzonitrile
CID 22721189
4-chloro-2-(3-hydroxy-2-methylphenoxy)benzonitrile
CID 63083316

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenoxybenzonitrile?
The IUPAC name of 4-chloro-2-phenoxybenzonitrile (CID 63093062) is 4-chloro-2-phenoxybenzonitrile.
What is the SMILES notation for 4-chloro-2-phenoxybenzonitrile?
The canonical SMILES for 4-chloro-2-phenoxybenzonitrile is N#Cc1ccc(Cl)cc1Oc1ccccc1.
What is the InChIKey of 4-chloro-2-phenoxybenzonitrile?
The InChIKey is UWVGQIXUOWYMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO/c14-11-7-6-10(9-15)13(8-11)16-12-4-2-1-3-5-12/h1-8H.
What are the key properties of 4-chloro-2-phenoxybenzonitrile?
4-chloro-2-phenoxybenzonitrile has a molecular weight of 229.67 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenoxybenzonitrile is sourced from PubChem (CID 63093062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).