(1-chloro-2-phenylethyl)benzene

C14H13Cl — CID 20838

IUPAC(1-chloro-2-phenylethyl)benzene
SMILESClC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13Cl/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2
InChIKeyUVROAJFELBNMRA-UHFFFAOYSA-N
MW216.71 g/mol
LogP4.21
Rot. Bonds3

About (1-chloro-2-phenylethyl)benzene

(1-chloro-2-phenylethyl)benzene (PubChem CID 20838) has the molecular formula C14H13Cl and a molecular weight of 216.71 g/mol. Its IUPAC name is (1-chloro-2-phenylethyl)benzene.

Molecular Properties

Compound Name(1-chloro-2-phenylethyl)benzene
PubChem CID20838
Molecular FormulaC14H13Cl
Molecular Weight216.71 g/mol
Exact Mass216.07
IUPAC Name(1-chloro-2-phenylethyl)benzene
SMILESClC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13Cl/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2
InChIKeyUVROAJFELBNMRA-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (1-chloro-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

Frequently Asked Questions

What is the IUPAC name of (1-chloro-2-phenylethyl)benzene?
The IUPAC name of (1-chloro-2-phenylethyl)benzene (CID 20838) is (1-chloro-2-phenylethyl)benzene.
What is the SMILES notation for (1-chloro-2-phenylethyl)benzene?
The canonical SMILES for (1-chloro-2-phenylethyl)benzene is ClC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of (1-chloro-2-phenylethyl)benzene?
The InChIKey is UVROAJFELBNMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2.
What are the key properties of (1-chloro-2-phenylethyl)benzene?
(1-chloro-2-phenylethyl)benzene has a molecular weight of 216.71 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-2-phenylethyl)benzene is sourced from PubChem (CID 20838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).