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

C20H16Cl2 — CID 141484377

IUPAC(2,2-dichloro-1,1-diphenylethyl)benzene
SMILESClC(Cl)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16Cl2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H
InChIKeyNZQHISPMQKKPGM-UHFFFAOYSA-N
MW327.25 g/mol
LogP5.82
Rot. Bonds4

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

(2,2-dichloro-1,1-diphenylethyl)benzene (PubChem CID 141484377) has the molecular formula C20H16Cl2 and a molecular weight of 327.25 g/mol. Its IUPAC name is (2,2-dichloro-1,1-diphenylethyl)benzene.

Molecular Properties

Compound Name(2,2-dichloro-1,1-diphenylethyl)benzene
PubChem CID141484377
Molecular FormulaC20H16Cl2
Molecular Weight327.25 g/mol
Exact Mass326.06
IUPAC Name(2,2-dichloro-1,1-diphenylethyl)benzene
SMILESClC(Cl)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16Cl2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H
InChIKeyNZQHISPMQKKPGM-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.25
LogP ≤ 55.82
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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Related Compounds

(2,2-dichloro-1,1-dimethoxyethyl)benzene
CID 11356770
3-methyl-1,1,1-triphenylbutan-2-amine
CID 67050578
(1-bromo-2,2,2-triphenylethyl)benzene
CID 141334125
tert-butylbenzene;chloromethane;ethane
CID 91149652
(1-chloro-1,2-diphenylpropan-2-yl)benzene
CID 146405776
2,2-dibromo-2-phenylacetyl chloride
CID 56990356
2-chloro-3-hydroxy-3,3-diphenylpropanoic acid
CID 87898633
(1,2-dichloro-1,2-difluoro-2-phenylethyl)benzene
CID 15026496
dichloro(phenyl)methanol
CID 25493
1-chloro-1,1-diphenylpropan-2-ol
CID 174806376
(2-chloro-1,2-difluoro-1-methoxyethyl)benzene
CID 11106546
CID 67364349
CID 67364349

Frequently Asked Questions

What is the IUPAC name of (2,2-dichloro-1,1-diphenylethyl)benzene?
The IUPAC name of (2,2-dichloro-1,1-diphenylethyl)benzene (CID 141484377) is (2,2-dichloro-1,1-diphenylethyl)benzene.
What is the SMILES notation for (2,2-dichloro-1,1-diphenylethyl)benzene?
The canonical SMILES for (2,2-dichloro-1,1-diphenylethyl)benzene is ClC(Cl)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2,2-dichloro-1,1-diphenylethyl)benzene?
The InChIKey is NZQHISPMQKKPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H.
What are the key properties of (2,2-dichloro-1,1-diphenylethyl)benzene?
(2,2-dichloro-1,1-diphenylethyl)benzene has a molecular weight of 327.25 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichloro-1,1-diphenylethyl)benzene is sourced from PubChem (CID 141484377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).