1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene

C16H16Cl2 — CID 113460184

IUPAC1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene
SMILESCC(Cc1ccccc1Cl)C(Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2/c1-12(11-14-9-5-6-10-15(14)17)16(18)13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3
InChIKeyXQELTKXBEUAGBU-UHFFFAOYSA-N
MW279.21 g/mol
LogP5.50
Rot. Bonds4

About 1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene

1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene (PubChem CID 113460184) has the molecular formula C16H16Cl2 and a molecular weight of 279.21 g/mol. Its IUPAC name is 1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene
PubChem CID113460184
Molecular FormulaC16H16Cl2
Molecular Weight279.21 g/mol
Exact Mass278.06
IUPAC Name1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene
SMILESCC(Cc1ccccc1Cl)C(Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2/c1-12(11-14-9-5-6-10-15(14)17)16(18)13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3
InChIKeyXQELTKXBEUAGBU-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.21
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-dichloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene
CID 104846458
1-chloro-2-(2,3-dimethylbutyl)benzene
CID 123440272
1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene
CID 113460186
4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60995305
(1-chloro-2-methyl-4-phenylbutyl)benzene
CID 86095449
4-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)-1-fluorobenzene
CID 104846335
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
1-(3-bromo-2-phenylpropyl)-2-chlorobenzene
CID 66041463
(1,5-dichloro-2-methylpentyl)benzene
CID 174512568
N-[(2-chlorophenyl)methyl]-1-phenylethanamine
CID 2757411
3-(2-chlorophenyl)-2-phenylpropanenitrile
CID 82084814
(2-chlorophenyl)methyl-[(1R)-1-phenylethyl]azanium
CID 6948605

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene?
The IUPAC name of 1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene (CID 113460184) is 1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene.
What is the SMILES notation for 1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene?
The canonical SMILES for 1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene is CC(Cc1ccccc1Cl)C(Cl)c1ccccc1.
What is the InChIKey of 1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene?
The InChIKey is XQELTKXBEUAGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2/c1-12(11-14-9-5-6-10-15(14)17)16(18)13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3.
What are the key properties of 1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene?
1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene has a molecular weight of 279.21 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene is sourced from PubChem (CID 113460184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).