2-(3-chloro-4-phenoxyphenyl)benzonitrile

C19H12ClNO — CID 173297794

IUPAC2-(3-chloro-4-phenoxyphenyl)benzonitrile
SMILESN#Cc1ccccc1-c1ccc(Oc2ccccc2)c(Cl)c1
InChIInChI=1S/C19H12ClNO/c20-18-12-14(17-9-5-4-6-15(17)13-21)10-11-19(18)22-16-7-2-1-3-8-16/h1-12H
InChIKeyCRZYJYNHICGBKU-UHFFFAOYSA-N
MW305.76 g/mol
LogP5.67
Rot. Bonds3

About 2-(3-chloro-4-phenoxyphenyl)benzonitrile

2-(3-chloro-4-phenoxyphenyl)benzonitrile (PubChem CID 173297794) has the molecular formula C19H12ClNO and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-(3-chloro-4-phenoxyphenyl)benzonitrile.

Molecular Properties

Compound Name2-(3-chloro-4-phenoxyphenyl)benzonitrile
PubChem CID173297794
Molecular FormulaC19H12ClNO
Molecular Weight305.76 g/mol
Exact Mass305.06
IUPAC Name2-(3-chloro-4-phenoxyphenyl)benzonitrile
SMILESN#Cc1ccccc1-c1ccc(Oc2ccccc2)c(Cl)c1
InChIInChI=1S/C19H12ClNO/c20-18-12-14(17-9-5-4-6-15(17)13-21)10-11-19(18)22-16-7-2-1-3-8-16/h1-12H
InChIKeyCRZYJYNHICGBKU-UHFFFAOYSA-N
XLogP5.67
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.76
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-diphenoxybenzene-1,2-dicarbonitrile
CID 680327
4-chloro-2-phenoxybenzonitrile
CID 63093062
2-(4-chlorophenyl)benzonitrile;hydrochloride
CID 175053913
3-chloro-4-(3-cyanophenoxy)benzonitrile
CID 55179484
2-chloro-4-(2-fluorophenyl)benzonitrile
CID 46314397
4-(3,4-diphenoxyphenoxy)benzene-1,2-dicarbonitrile
CID 15667750
4-(4-phenylphenoxy)benzene-1,2-dicarbonitrile
CID 746627
3-chloro-4-phenoxybenzenecarbothioamide
CID 63087310
2-chloro-4-(2,4-dichlorophenoxy)benzonitrile
CID 21429570
3-chloro-4-(3-cyanophenoxy)benzoic acid
CID 81151688
2-[2-chloro-4-(trifluoromethyl)phenoxy]benzonitrile
CID 83409482
4-(2,4,5-trichlorophenoxy)benzene-1,2-dicarbonitrile
CID 142771220

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-phenoxyphenyl)benzonitrile?
The IUPAC name of 2-(3-chloro-4-phenoxyphenyl)benzonitrile (CID 173297794) is 2-(3-chloro-4-phenoxyphenyl)benzonitrile.
What is the SMILES notation for 2-(3-chloro-4-phenoxyphenyl)benzonitrile?
The canonical SMILES for 2-(3-chloro-4-phenoxyphenyl)benzonitrile is N#Cc1ccccc1-c1ccc(Oc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-phenoxyphenyl)benzonitrile?
The InChIKey is CRZYJYNHICGBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO/c20-18-12-14(17-9-5-4-6-15(17)13-21)10-11-19(18)22-16-7-2-1-3-8-16/h1-12H.
What are the key properties of 2-(3-chloro-4-phenoxyphenyl)benzonitrile?
2-(3-chloro-4-phenoxyphenyl)benzonitrile has a molecular weight of 305.76 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-phenoxyphenyl)benzonitrile is sourced from PubChem (CID 173297794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).