1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene

C13H9Cl3 — CID 66251613

IUPAC1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene
SMILESCc1cccc(Cl)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl3/c1-8-4-2-6-10(14)12(8)9-5-3-7-11(15)13(9)16/h2-7H,1H3
InChIKeyURNVYBDJVRTIOP-UHFFFAOYSA-N
MW271.57 g/mol
LogP5.62
Rot. Bonds1

About 1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene

1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene (PubChem CID 66251613) has the molecular formula C13H9Cl3 and a molecular weight of 271.57 g/mol. Its IUPAC name is 1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene
PubChem CID66251613
Molecular FormulaC13H9Cl3
Molecular Weight271.57 g/mol
Exact Mass269.98
IUPAC Name1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene
SMILESCc1cccc(Cl)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl3/c1-8-4-2-6-10(14)12(8)9-5-3-7-11(15)13(9)16/h2-7H,1H3
InChIKeyURNVYBDJVRTIOP-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.57
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene?
The IUPAC name of 1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene (CID 66251613) is 1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene.
What is the SMILES notation for 1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene?
The canonical SMILES for 1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene is Cc1cccc(Cl)c1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene?
The InChIKey is URNVYBDJVRTIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3/c1-8-4-2-6-10(14)12(8)9-5-3-7-11(15)13(9)16/h2-7H,1H3.
What are the key properties of 1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene?
1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene has a molecular weight of 271.57 g/mol, XLogP of 5.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene is sourced from PubChem (CID 66251613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).