1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene

C13H8Cl4 — CID 55200431

IUPAC1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene
SMILESClc1ccc(Cl)c(C(Cl)c2ccccc2Cl)c1
InChIInChI=1S/C13H8Cl4/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7,13H
InChIKeyGOOBRVNUYZIPPK-UHFFFAOYSA-N
MW306.02 g/mol
LogP5.97
Rot. Bonds2

About 1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene

1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene (PubChem CID 55200431) has the molecular formula C13H8Cl4 and a molecular weight of 306.02 g/mol. Its IUPAC name is 1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene.

Molecular Properties

Compound Name1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene
PubChem CID55200431
Molecular FormulaC13H8Cl4
Molecular Weight306.02 g/mol
Exact Mass303.94
IUPAC Name1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene
SMILESClc1ccc(Cl)c(C(Cl)c2ccccc2Cl)c1
InChIInChI=1S/C13H8Cl4/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7,13H
InChIKeyGOOBRVNUYZIPPK-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.02
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]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

1,2-dichloro-3-[chloro-(2,5-dichlorophenyl)methyl]benzene
CID 63436330
1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63436201
1,4-dichloro-2-[chloro-(2-iodophenyl)methyl]benzene
CID 63436203
1,4-dichloro-2-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene
CID 63436291
1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene
CID 79592810
1,4-dichloro-2-[chloro-(2-chloro-3-fluorophenyl)methyl]benzene
CID 81461610
2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 55198018
1-chloro-2-[chloro-(3-chlorophenyl)methyl]benzene
CID 14417332
1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene
CID 63436332
1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63444065
1-chloro-4-[chloro-(5-chloro-2-fluorophenyl)methyl]naphthalene
CID 79592824
2,4-dichloro-1-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene
CID 63443981

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene?
The IUPAC name of 1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene (CID 55200431) is 1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene.
What is the SMILES notation for 1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene?
The canonical SMILES for 1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene is Clc1ccc(Cl)c(C(Cl)c2ccccc2Cl)c1.
What is the InChIKey of 1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene?
The InChIKey is GOOBRVNUYZIPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7,13H.
What are the key properties of 1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene?
1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene has a molecular weight of 306.02 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene is sourced from PubChem (CID 55200431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).