2-chloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-4-methylbenzene

C17H16Cl4 — CID 106870780

IUPAC2-chloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-4-methylbenzene
SMILESCc1ccc(CC(CCl)(CCl)c2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl4/c1-12-6-7-13(16(21)8-12)9-17(10-18,11-19)14-4-2-3-5-15(14)20/h2-8H,9-11H2,1H3
InChIKeyAXCMMWKCUINSKU-UHFFFAOYSA-N
MW362.13 g/mol
LogP6.26
Rot. Bonds5

About 2-chloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-4-methylbenzene

2-chloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-4-methylbenzene (PubChem CID 106870780) has the molecular formula C17H16Cl4 and a molecular weight of 362.13 g/mol. Its IUPAC name is 2-chloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-4-methylbenzene.

Molecular Properties

Compound Name2-chloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-4-methylbenzene
PubChem CID106870780
Molecular FormulaC17H16Cl4
Molecular Weight362.13 g/mol
Exact Mass360.00
IUPAC Name2-chloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-4-methylbenzene
SMILESCc1ccc(CC(CCl)(CCl)c2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl4/c1-12-6-7-13(16(21)8-12)9-17(10-18,11-19)14-4-2-3-5-15(14)20/h2-8H,9-11H2,1H3
InChIKeyAXCMMWKCUINSKU-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.13
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-chloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-4-methylbenzene 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

2,4-dichloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]benzene
CID 79444471
1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-methylphenyl)propan-2-yl]benzene
CID 79453918
1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-fluorophenyl)propan-2-yl]benzene
CID 79453067
2-(2-bromophenyl)-1-(2-chloro-4-methylphenyl)propan-2-ol
CID 106866065
1-chloro-2-[1-chloro-2-(chloromethyl)-5,5-dimethylhexan-2-yl]benzene
CID 79453577
1-chloro-2-[1-chloro-2-(chloromethyl)-3-methoxypropan-2-yl]benzene
CID 103985311
2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol
CID 79447250
1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene
CID 79456158
2-(3-bromophenyl)-2-[(2-chloro-4-methylphenyl)methyl]propane-1,3-diol
CID 106870763
3-(2-chloro-4-methylphenyl)-2-fluoro-2-phenylpropan-1-amine
CID 106871130
2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-1,4-dimethylbenzene
CID 79447240
2-(2-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]propane-1,3-diol
CID 105376102

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-4-methylbenzene?
The IUPAC name of 2-chloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-4-methylbenzene (CID 106870780) is 2-chloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-4-methylbenzene.
What is the SMILES notation for 2-chloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-4-methylbenzene?
The canonical SMILES for 2-chloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-4-methylbenzene is Cc1ccc(CC(CCl)(CCl)c2ccccc2Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-4-methylbenzene?
The InChIKey is AXCMMWKCUINSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl4/c1-12-6-7-13(16(21)8-12)9-17(10-18,11-19)14-4-2-3-5-15(14)20/h2-8H,9-11H2,1H3.
What are the key properties of 2-chloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-4-methylbenzene?
2-chloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-4-methylbenzene has a molecular weight of 362.13 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-4-methylbenzene is sourced from PubChem (CID 106870780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).