1,4-dichloro-2-(4-chlorophenyl)benzene

C12H7Cl3 — CID 27960

IUPAC1,4-dichloro-2-(4-chlorophenyl)benzene
SMILESClc1ccc(-c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H
InChIKeyVAHKBZSAUKPEOV-UHFFFAOYSA-N
MW257.55 g/mol
LogP5.31
Rot. Bonds1

About 1,4-dichloro-2-(4-chlorophenyl)benzene

1,4-dichloro-2-(4-chlorophenyl)benzene (PubChem CID 27960) has the molecular formula C12H7Cl3 and a molecular weight of 257.55 g/mol. Its IUPAC name is 1,4-dichloro-2-(4-chlorophenyl)benzene.

Molecular Properties

Compound Name1,4-dichloro-2-(4-chlorophenyl)benzene
PubChem CID27960
Molecular FormulaC12H7Cl3
Molecular Weight257.55 g/mol
Exact Mass255.96
IUPAC Name1,4-dichloro-2-(4-chlorophenyl)benzene
SMILESClc1ccc(-c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H
InChIKeyVAHKBZSAUKPEOV-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.55
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(4-chlorophenyl)benzene?
The IUPAC name of 1,4-dichloro-2-(4-chlorophenyl)benzene (CID 27960) is 1,4-dichloro-2-(4-chlorophenyl)benzene.
What is the SMILES notation for 1,4-dichloro-2-(4-chlorophenyl)benzene?
The canonical SMILES for 1,4-dichloro-2-(4-chlorophenyl)benzene is Clc1ccc(-c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 1,4-dichloro-2-(4-chlorophenyl)benzene?
The InChIKey is VAHKBZSAUKPEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H.
What are the key properties of 1,4-dichloro-2-(4-chlorophenyl)benzene?
1,4-dichloro-2-(4-chlorophenyl)benzene has a molecular weight of 257.55 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(4-chlorophenyl)benzene is sourced from PubChem (CID 27960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).