4-chloro-1-(4-chloro-2-methylphenyl)-2-methylbenzene

C14H12Cl2 — CID 21015509

IUPAC4-chloro-1-(4-chloro-2-methylphenyl)-2-methylbenzene
SMILESCc1cc(Cl)ccc1-c1ccc(Cl)cc1C
InChIInChI=1S/C14H12Cl2/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2/h3-8H,1-2H3
InChIKeyUFUPYRKZPRZHBJ-UHFFFAOYSA-N
MW251.16 g/mol
LogP5.28
Rot. Bonds1

About 4-chloro-1-(4-chloro-2-methylphenyl)-2-methylbenzene

4-chloro-1-(4-chloro-2-methylphenyl)-2-methylbenzene (PubChem CID 21015509) has the molecular formula C14H12Cl2 and a molecular weight of 251.16 g/mol. Its IUPAC name is 4-chloro-1-(4-chloro-2-methylphenyl)-2-methylbenzene.

Molecular Properties

Compound Name4-chloro-1-(4-chloro-2-methylphenyl)-2-methylbenzene
PubChem CID21015509
Molecular FormulaC14H12Cl2
Molecular Weight251.16 g/mol
Exact Mass250.03
IUPAC Name4-chloro-1-(4-chloro-2-methylphenyl)-2-methylbenzene
SMILESCc1cc(Cl)ccc1-c1ccc(Cl)cc1C
InChIInChI=1S/C14H12Cl2/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2/h3-8H,1-2H3
InChIKeyUFUPYRKZPRZHBJ-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 4-chloro-1-(4-chloro-2-methylphenyl)-2-methylbenzene?
The IUPAC name of 4-chloro-1-(4-chloro-2-methylphenyl)-2-methylbenzene (CID 21015509) is 4-chloro-1-(4-chloro-2-methylphenyl)-2-methylbenzene.
What is the SMILES notation for 4-chloro-1-(4-chloro-2-methylphenyl)-2-methylbenzene?
The canonical SMILES for 4-chloro-1-(4-chloro-2-methylphenyl)-2-methylbenzene is Cc1cc(Cl)ccc1-c1ccc(Cl)cc1C.
What is the InChIKey of 4-chloro-1-(4-chloro-2-methylphenyl)-2-methylbenzene?
The InChIKey is UFUPYRKZPRZHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2/h3-8H,1-2H3.
What are the key properties of 4-chloro-1-(4-chloro-2-methylphenyl)-2-methylbenzene?
4-chloro-1-(4-chloro-2-methylphenyl)-2-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 4-chloro-1-(4-chloro-2-methylphenyl)-2-methylbenzene is sourced from PubChem (CID 21015509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).