1-chloro-3-(3-chlorophenyl)benzene

C12H8Cl2 — CID 16307

IUPAC1-chloro-3-(3-chlorophenyl)benzene
SMILESClc1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C12H8Cl2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H
InChIKeyKTXUOWUHFLBZPW-UHFFFAOYSA-N
MW223.10 g/mol
LogP4.66
Rot. Bonds1

About 1-chloro-3-(3-chlorophenyl)benzene

1-chloro-3-(3-chlorophenyl)benzene (PubChem CID 16307) has the molecular formula C12H8Cl2 and a molecular weight of 223.10 g/mol. Its IUPAC name is 1-chloro-3-(3-chlorophenyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(3-chlorophenyl)benzene
PubChem CID16307
Molecular FormulaC12H8Cl2
Molecular Weight223.10 g/mol
Exact Mass222.00
IUPAC Name1-chloro-3-(3-chlorophenyl)benzene
SMILESClc1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C12H8Cl2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H
InChIKeyKTXUOWUHFLBZPW-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.10
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-chlorophenyl)benzene?
The IUPAC name of 1-chloro-3-(3-chlorophenyl)benzene (CID 16307) is 1-chloro-3-(3-chlorophenyl)benzene.
What is the SMILES notation for 1-chloro-3-(3-chlorophenyl)benzene?
The canonical SMILES for 1-chloro-3-(3-chlorophenyl)benzene is Clc1cccc(-c2cccc(Cl)c2)c1.
What is the InChIKey of 1-chloro-3-(3-chlorophenyl)benzene?
The InChIKey is KTXUOWUHFLBZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H.
What are the key properties of 1-chloro-3-(3-chlorophenyl)benzene?
1-chloro-3-(3-chlorophenyl)benzene has a molecular weight of 223.10 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-chlorophenyl)benzene is sourced from PubChem (CID 16307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).