(2-chloro-1,1-diphenylethyl)benzene

C20H17Cl — CID 3744140

IUPAC(2-chloro-1,1-diphenylethyl)benzene
SMILESClCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17Cl/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyOMVPWPGLZIBJJS-UHFFFAOYSA-N
MW292.81 g/mol
LogP5.26
Rot. Bonds4

About (2-chloro-1,1-diphenylethyl)benzene

(2-chloro-1,1-diphenylethyl)benzene (PubChem CID 3744140) has the molecular formula C20H17Cl and a molecular weight of 292.81 g/mol. Its IUPAC name is (2-chloro-1,1-diphenylethyl)benzene.

Molecular Properties

Compound Name(2-chloro-1,1-diphenylethyl)benzene
PubChem CID3744140
Molecular FormulaC20H17Cl
Molecular Weight292.81 g/mol
Exact Mass292.10
IUPAC Name(2-chloro-1,1-diphenylethyl)benzene
SMILESClCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17Cl/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyOMVPWPGLZIBJJS-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.81
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,1-diphenylethyl)benzene?
The IUPAC name of (2-chloro-1,1-diphenylethyl)benzene (CID 3744140) is (2-chloro-1,1-diphenylethyl)benzene.
What is the SMILES notation for (2-chloro-1,1-diphenylethyl)benzene?
The canonical SMILES for (2-chloro-1,1-diphenylethyl)benzene is ClCC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-chloro-1,1-diphenylethyl)benzene?
The InChIKey is OMVPWPGLZIBJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2.
What are the key properties of (2-chloro-1,1-diphenylethyl)benzene?
(2-chloro-1,1-diphenylethyl)benzene has a molecular weight of 292.81 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,1-diphenylethyl)benzene is sourced from PubChem (CID 3744140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).