1-chloro-2-(2-phenylethyl)benzene

C14H13Cl — CID 21495838

IUPAC1-chloro-2-(2-phenylethyl)benzene
SMILESClc1ccccc1CCc1ccccc1
InChIInChI=1S/C14H13Cl/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyJCJXUIREMLMCQR-UHFFFAOYSA-N
MW216.71 g/mol
LogP4.13
Rot. Bonds3

About 1-chloro-2-(2-phenylethyl)benzene

1-chloro-2-(2-phenylethyl)benzene (PubChem CID 21495838) has the molecular formula C14H13Cl and a molecular weight of 216.71 g/mol. Its IUPAC name is 1-chloro-2-(2-phenylethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(2-phenylethyl)benzene
PubChem CID21495838
Molecular FormulaC14H13Cl
Molecular Weight216.71 g/mol
Exact Mass216.07
IUPAC Name1-chloro-2-(2-phenylethyl)benzene
SMILESClc1ccccc1CCc1ccccc1
InChIInChI=1S/C14H13Cl/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyJCJXUIREMLMCQR-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-2-(2-phenylethyl)benzene 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

1,2-dichloro-3-(2-phenylethyl)benzene
CID 139886984
1-chloro-2-[3-(4-phenylphenyl)propyl]benzene
CID 173254966
CID 6380343
CID 6380343
benzene;2-phenylethylbenzene
CID 18982764
1-chloro-2-(2-chloroethyl)benzene
CID 12587535
N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine
CID 54806960
1-[2-(2-chlorophenyl)ethyl]naphthalene
CID 20686215
2-[2-(2-chlorophenyl)ethyl]benzoic acid
CID 70516593
hafnium;2-phenylethylbenzene
CID 173109801
1-chloro-2-(2-chloro-5-phenylpentyl)benzene
CID 63518283
2-(2-phenylethyl)phenol;hydrate
CID 157150935
2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine
CID 70453735

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-phenylethyl)benzene?
The IUPAC name of 1-chloro-2-(2-phenylethyl)benzene (CID 21495838) is 1-chloro-2-(2-phenylethyl)benzene.
What is the SMILES notation for 1-chloro-2-(2-phenylethyl)benzene?
The canonical SMILES for 1-chloro-2-(2-phenylethyl)benzene is Clc1ccccc1CCc1ccccc1.
What is the InChIKey of 1-chloro-2-(2-phenylethyl)benzene?
The InChIKey is JCJXUIREMLMCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 1-chloro-2-(2-phenylethyl)benzene?
1-chloro-2-(2-phenylethyl)benzene has a molecular weight of 216.71 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-phenylethyl)benzene is sourced from PubChem (CID 21495838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).