1-chloro-2-(5-chloro-2-methylphenyl)-3-methylbenzene

C14H12Cl2 — CID 66252384

IUPAC1-chloro-2-(5-chloro-2-methylphenyl)-3-methylbenzene
SMILESCc1ccc(Cl)cc1-c1c(C)cccc1Cl
InChIInChI=1S/C14H12Cl2/c1-9-6-7-11(15)8-12(9)14-10(2)4-3-5-13(14)16/h3-8H,1-2H3
InChIKeyZBYJBAZWKYMCKS-UHFFFAOYSA-N
MW251.16 g/mol
LogP5.28
Rot. Bonds1

About 1-chloro-2-(5-chloro-2-methylphenyl)-3-methylbenzene

1-chloro-2-(5-chloro-2-methylphenyl)-3-methylbenzene (PubChem CID 66252384) has the molecular formula C14H12Cl2 and a molecular weight of 251.16 g/mol. Its IUPAC name is 1-chloro-2-(5-chloro-2-methylphenyl)-3-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-(5-chloro-2-methylphenyl)-3-methylbenzene
PubChem CID66252384
Molecular FormulaC14H12Cl2
Molecular Weight251.16 g/mol
Exact Mass250.03
IUPAC Name1-chloro-2-(5-chloro-2-methylphenyl)-3-methylbenzene
SMILESCc1ccc(Cl)cc1-c1c(C)cccc1Cl
InChIInChI=1S/C14H12Cl2/c1-9-6-7-11(15)8-12(9)14-10(2)4-3-5-13(14)16/h3-8H,1-2H3
InChIKeyZBYJBAZWKYMCKS-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.16
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(5-chloro-2-methylphenyl)-3-methylbenzene?
The IUPAC name of 1-chloro-2-(5-chloro-2-methylphenyl)-3-methylbenzene (CID 66252384) is 1-chloro-2-(5-chloro-2-methylphenyl)-3-methylbenzene.
What is the SMILES notation for 1-chloro-2-(5-chloro-2-methylphenyl)-3-methylbenzene?
The canonical SMILES for 1-chloro-2-(5-chloro-2-methylphenyl)-3-methylbenzene is Cc1ccc(Cl)cc1-c1c(C)cccc1Cl.
What is the InChIKey of 1-chloro-2-(5-chloro-2-methylphenyl)-3-methylbenzene?
The InChIKey is ZBYJBAZWKYMCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2/c1-9-6-7-11(15)8-12(9)14-10(2)4-3-5-13(14)16/h3-8H,1-2H3.
What are the key properties of 1-chloro-2-(5-chloro-2-methylphenyl)-3-methylbenzene?
1-chloro-2-(5-chloro-2-methylphenyl)-3-methylbenzene has a molecular weight of 251.16 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(5-chloro-2-methylphenyl)-3-methylbenzene is sourced from PubChem (CID 66252384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).