(1-chloro-1,2-diphenylpropan-2-yl)benzene

C21H19Cl — CID 146405776

IUPAC(1-chloro-1,2-diphenylpropan-2-yl)benzene
SMILESCC(c1ccccc1)(c1ccccc1)C(Cl)c1ccccc1
InChIInChI=1S/C21H19Cl/c1-21(18-13-7-3-8-14-18,19-15-9-4-10-16-19)20(22)17-11-5-2-6-12-17/h2-16,20H,1H3
InChIKeyRZNZJCFLCYSQIW-UHFFFAOYSA-N
MW306.84 g/mol
LogP5.97
Rot. Bonds4

About (1-chloro-1,2-diphenylpropan-2-yl)benzene

(1-chloro-1,2-diphenylpropan-2-yl)benzene (PubChem CID 146405776) has the molecular formula C21H19Cl and a molecular weight of 306.84 g/mol. Its IUPAC name is (1-chloro-1,2-diphenylpropan-2-yl)benzene.

Molecular Properties

Compound Name(1-chloro-1,2-diphenylpropan-2-yl)benzene
PubChem CID146405776
Molecular FormulaC21H19Cl
Molecular Weight306.84 g/mol
Exact Mass306.12
IUPAC Name(1-chloro-1,2-diphenylpropan-2-yl)benzene
SMILESCC(c1ccccc1)(c1ccccc1)C(Cl)c1ccccc1
InChIInChI=1S/C21H19Cl/c1-21(18-13-7-3-8-14-18,19-15-9-4-10-16-19)20(22)17-11-5-2-6-12-17/h2-16,20H,1H3
InChIKeyRZNZJCFLCYSQIW-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.84
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1-chloro-1,2-diphenylpropan-2-yl)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

tert-butylbenzene;chloromethane;ethane
CID 91149652
CID 171375456
CID 171375456
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
tert-butylbenzene;molecular nitrogen
CID 146464751
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
2,3-dimethyl-3-phenylbutan-2-amine
CID 54449592
2-(1,1-diphenylethyl)propanedioyl dichloride
CID 139978063
[chloro(phenyl)methyl]benzene;isocyanic acid;2-phenylpropan-2-ylbenzene
CID 173413700
[(1R)-1-chloroethyl]benzene
CID 642190
1,1-difluoroethylbenzene
CID 10942535
tert-butylbenzene;methanimine
CID 174908280
bis(tert-butylbenzene);cumene;phenol
CID 161465137

Frequently Asked Questions

What is the IUPAC name of (1-chloro-1,2-diphenylpropan-2-yl)benzene?
The IUPAC name of (1-chloro-1,2-diphenylpropan-2-yl)benzene (CID 146405776) is (1-chloro-1,2-diphenylpropan-2-yl)benzene.
What is the SMILES notation for (1-chloro-1,2-diphenylpropan-2-yl)benzene?
The canonical SMILES for (1-chloro-1,2-diphenylpropan-2-yl)benzene is CC(c1ccccc1)(c1ccccc1)C(Cl)c1ccccc1.
What is the InChIKey of (1-chloro-1,2-diphenylpropan-2-yl)benzene?
The InChIKey is RZNZJCFLCYSQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl/c1-21(18-13-7-3-8-14-18,19-15-9-4-10-16-19)20(22)17-11-5-2-6-12-17/h2-16,20H,1H3.
What are the key properties of (1-chloro-1,2-diphenylpropan-2-yl)benzene?
(1-chloro-1,2-diphenylpropan-2-yl)benzene has a molecular weight of 306.84 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-1,2-diphenylpropan-2-yl)benzene is sourced from PubChem (CID 146405776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).