1,2-dichloro-4-methylbenzene

C7H6Cl2 — CID 7256

IUPAC1,2-dichloro-4-methylbenzene
SMILESCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H6Cl2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKeyWYUIWKFIFOJVKW-UHFFFAOYSA-N
MW161.03 g/mol
LogP3.30
Rot. Bonds

About 1,2-dichloro-4-methylbenzene

1,2-dichloro-4-methylbenzene (PubChem CID 7256) has the molecular formula C7H6Cl2 and a molecular weight of 161.03 g/mol. Its IUPAC name is 1,2-dichloro-4-methylbenzene.

Molecular Properties

Compound Name1,2-dichloro-4-methylbenzene
PubChem CID7256
Molecular FormulaC7H6Cl2
Molecular Weight161.03 g/mol
Exact Mass159.98
IUPAC Name1,2-dichloro-4-methylbenzene
SMILESCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H6Cl2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKeyWYUIWKFIFOJVKW-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.03
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-methylbenzene?
The IUPAC name of 1,2-dichloro-4-methylbenzene (CID 7256) is 1,2-dichloro-4-methylbenzene.
What is the SMILES notation for 1,2-dichloro-4-methylbenzene?
The canonical SMILES for 1,2-dichloro-4-methylbenzene is Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-methylbenzene?
The InChIKey is WYUIWKFIFOJVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3.
What are the key properties of 1,2-dichloro-4-methylbenzene?
1,2-dichloro-4-methylbenzene has a molecular weight of 161.03 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-methylbenzene is sourced from PubChem (CID 7256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).