1,2-dichloro-4-phenylbenzene

C12H8Cl2 — CID 18102

IUPAC1,2-dichloro-4-phenylbenzene
SMILESClc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C12H8Cl2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8H
InChIKeyZGHQUYZPMWMLBM-UHFFFAOYSA-N
MW223.10 g/mol
LogP4.66
Rot. Bonds1

About 1,2-dichloro-4-phenylbenzene

1,2-dichloro-4-phenylbenzene (PubChem CID 18102) has the molecular formula C12H8Cl2 and a molecular weight of 223.10 g/mol. Its IUPAC name is 1,2-dichloro-4-phenylbenzene.

Molecular Properties

Compound Name1,2-dichloro-4-phenylbenzene
PubChem CID18102
Molecular FormulaC12H8Cl2
Molecular Weight223.10 g/mol
Exact Mass222.00
IUPAC Name1,2-dichloro-4-phenylbenzene
SMILESClc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C12H8Cl2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8H
InChIKeyZGHQUYZPMWMLBM-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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Related Compounds

CID 6294
CID 6294
CID 3036
CID 3036
CID 3035
CID 3035
CID 37034
CID 37034
CID 40470
CID 40470
CID 36187
CID 36187
CID 38037
CID 38037
CID 13089
CID 13089
CID 36400
CID 36400
CID 63090
CID 63090
CID 38018
CID 38018
CID 35823
CID 35823

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-phenylbenzene?
The IUPAC name of 1,2-dichloro-4-phenylbenzene (CID 18102) is 1,2-dichloro-4-phenylbenzene.
What is the SMILES notation for 1,2-dichloro-4-phenylbenzene?
The canonical SMILES for 1,2-dichloro-4-phenylbenzene is Clc1ccc(-c2ccccc2)cc1Cl.
What is the InChIKey of 1,2-dichloro-4-phenylbenzene?
The InChIKey is ZGHQUYZPMWMLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 1,2-dichloro-4-phenylbenzene?
1,2-dichloro-4-phenylbenzene 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 1,2-dichloro-4-phenylbenzene is sourced from PubChem (CID 18102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).