2-[3-(4-chlorophenyl)phenyl]acetonitrile

C14H10ClN — CID 22371480

IUPAC2-[3-(4-chlorophenyl)phenyl]acetonitrile
SMILESN#CCc1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H10ClN/c15-14-6-4-12(5-7-14)13-3-1-2-11(10-13)8-9-16/h1-7,10H,8H2
InChIKeyWOIMSSOUKHWDTA-UHFFFAOYSA-N
MW227.69 g/mol
LogP4.07
Rot. Bonds2

About 2-[3-(4-chlorophenyl)phenyl]acetonitrile

2-[3-(4-chlorophenyl)phenyl]acetonitrile (PubChem CID 22371480) has the molecular formula C14H10ClN and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)phenyl]acetonitrile
PubChem CID22371480
Molecular FormulaC14H10ClN
Molecular Weight227.69 g/mol
Exact Mass227.05
IUPAC Name2-[3-(4-chlorophenyl)phenyl]acetonitrile
SMILESN#CCc1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H10ClN/c15-14-6-4-12(5-7-14)13-3-1-2-11(10-13)8-9-16/h1-7,10H,8H2
InChIKeyWOIMSSOUKHWDTA-UHFFFAOYSA-N
XLogP4.07
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)phenyl]acetonitrile?
The IUPAC name of 2-[3-(4-chlorophenyl)phenyl]acetonitrile (CID 22371480) is 2-[3-(4-chlorophenyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[3-(4-chlorophenyl)phenyl]acetonitrile?
The canonical SMILES for 2-[3-(4-chlorophenyl)phenyl]acetonitrile is N#CCc1cccc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[3-(4-chlorophenyl)phenyl]acetonitrile?
The InChIKey is WOIMSSOUKHWDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN/c15-14-6-4-12(5-7-14)13-3-1-2-11(10-13)8-9-16/h1-7,10H,8H2.
What are the key properties of 2-[3-(4-chlorophenyl)phenyl]acetonitrile?
2-[3-(4-chlorophenyl)phenyl]acetonitrile has a molecular weight of 227.69 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)phenyl]acetonitrile is sourced from PubChem (CID 22371480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).