1-chloro-2,4-dimethylbenzene

C8H9Cl — CID 523153

IUPAC1-chloro-2,4-dimethylbenzene
SMILESCc1ccc(Cl)c(C)c1
InChIInChI=1S/C8H9Cl/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3
InChIKeyUIEVCEQLNUHDIF-UHFFFAOYSA-N
MW140.61 g/mol
LogP2.96
Rot. Bonds

About 1-chloro-2,4-dimethylbenzene

1-chloro-2,4-dimethylbenzene (PubChem CID 523153) has the molecular formula C8H9Cl and a molecular weight of 140.61 g/mol. Its IUPAC name is 1-chloro-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-chloro-2,4-dimethylbenzene
PubChem CID523153
Molecular FormulaC8H9Cl
Molecular Weight140.61 g/mol
Exact Mass140.04
IUPAC Name1-chloro-2,4-dimethylbenzene
SMILESCc1ccc(Cl)c(C)c1
InChIInChI=1S/C8H9Cl/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3
InChIKeyUIEVCEQLNUHDIF-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.61
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,4-dimethylbenzene?
The IUPAC name of 1-chloro-2,4-dimethylbenzene (CID 523153) is 1-chloro-2,4-dimethylbenzene.
What is the SMILES notation for 1-chloro-2,4-dimethylbenzene?
The canonical SMILES for 1-chloro-2,4-dimethylbenzene is Cc1ccc(Cl)c(C)c1.
What is the InChIKey of 1-chloro-2,4-dimethylbenzene?
The InChIKey is UIEVCEQLNUHDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3.
What are the key properties of 1-chloro-2,4-dimethylbenzene?
1-chloro-2,4-dimethylbenzene has a molecular weight of 140.61 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,4-dimethylbenzene is sourced from PubChem (CID 523153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).