1,4-dichloro-2-methylbenzene

C7H6Cl2 — CID 29572

IUPAC1,4-dichloro-2-methylbenzene
SMILESCc1cc(Cl)ccc1Cl
InChIInChI=1S/C7H6Cl2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKeyKFAKZJUYBOYVKA-UHFFFAOYSA-N
MW161.03 g/mol
LogP3.30
Rot. Bonds

About 1,4-dichloro-2-methylbenzene

1,4-dichloro-2-methylbenzene (PubChem CID 29572) has the molecular formula C7H6Cl2 and a molecular weight of 161.03 g/mol. Its IUPAC name is 1,4-dichloro-2-methylbenzene.

Molecular Properties

Compound Name1,4-dichloro-2-methylbenzene
PubChem CID29572
Molecular FormulaC7H6Cl2
Molecular Weight161.03 g/mol
Exact Mass159.98
IUPAC Name1,4-dichloro-2-methylbenzene
SMILESCc1cc(Cl)ccc1Cl
InChIInChI=1S/C7H6Cl2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKeyKFAKZJUYBOYVKA-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 1,4-dichloro-2-methylbenzene?
The IUPAC name of 1,4-dichloro-2-methylbenzene (CID 29572) is 1,4-dichloro-2-methylbenzene.
What is the SMILES notation for 1,4-dichloro-2-methylbenzene?
The canonical SMILES for 1,4-dichloro-2-methylbenzene is Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-methylbenzene?
The InChIKey is KFAKZJUYBOYVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3.
What are the key properties of 1,4-dichloro-2-methylbenzene?
1,4-dichloro-2-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 1,4-dichloro-2-methylbenzene is sourced from PubChem (CID 29572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).