2-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]benzonitrile

C22H18ClNO — CID 67658901

IUPAC2-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]benzonitrile
SMILESN#Cc1ccccc1CCc1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C22H18ClNO/c23-21-12-13-22(25-16-17-6-2-1-3-7-17)19(14-21)11-10-18-8-4-5-9-20(18)15-24/h1-9,12-14H,10-11,16H2
InChIKeyAHAYEVQZKQTESU-UHFFFAOYSA-N
MW347.85 g/mol
LogP5.58
Rot. Bonds6

About 2-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]benzonitrile

2-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]benzonitrile (PubChem CID 67658901) has the molecular formula C22H18ClNO and a molecular weight of 347.85 g/mol. Its IUPAC name is 2-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]benzonitrile.

Molecular Properties

Compound Name2-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]benzonitrile
PubChem CID67658901
Molecular FormulaC22H18ClNO
Molecular Weight347.85 g/mol
Exact Mass347.11
IUPAC Name2-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]benzonitrile
SMILESN#Cc1ccccc1CCc1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C22H18ClNO/c23-21-12-13-22(25-16-17-6-2-1-3-7-17)19(14-21)11-10-18-8-4-5-9-20(18)15-24/h1-9,12-14H,10-11,16H2
InChIKeyAHAYEVQZKQTESU-UHFFFAOYSA-N
XLogP5.58
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.85
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]benzonitrile
CID 60880021
4-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 67659151
2-[(2-amino-4-chlorophenoxy)methyl]benzonitrile
CID 24704666
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide
CID 174489903
2-[[2-(2-aminoethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile
CID 107906833
2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carbonitrile
CID 59786319
1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
CID 172689166
5-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2-fluorobenzonitrile
CID 107882586
4-(4-chloro-2-fluorophenyl)-2-phenylmethoxybenzonitrile
CID 175686449

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]benzonitrile?
The IUPAC name of 2-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]benzonitrile (CID 67658901) is 2-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]benzonitrile.
What is the SMILES notation for 2-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]benzonitrile?
The canonical SMILES for 2-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]benzonitrile is N#Cc1ccccc1CCc1cc(Cl)ccc1OCc1ccccc1.
What is the InChIKey of 2-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]benzonitrile?
The InChIKey is AHAYEVQZKQTESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO/c23-21-12-13-22(25-16-17-6-2-1-3-7-17)19(14-21)11-10-18-8-4-5-9-20(18)15-24/h1-9,12-14H,10-11,16H2.
What are the key properties of 2-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]benzonitrile?
2-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]benzonitrile has a molecular weight of 347.85 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]benzonitrile is sourced from PubChem (CID 67658901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).