2,4-dichloro-1-ethyl-3,5-dimethylbenzene

C10H12Cl2 — CID 89248881

IUPAC2,4-dichloro-1-ethyl-3,5-dimethylbenzene
SMILESCCc1cc(C)c(Cl)c(C)c1Cl
InChIInChI=1S/C10H12Cl2/c1-4-8-5-6(2)9(11)7(3)10(8)12/h5H,4H2,1-3H3
InChIKeyWWGAUDVWFHDEOY-UHFFFAOYSA-N
MW203.11 g/mol
LogP4.17
Rot. Bonds1

About 2,4-dichloro-1-ethyl-3,5-dimethylbenzene

2,4-dichloro-1-ethyl-3,5-dimethylbenzene (PubChem CID 89248881) has the molecular formula C10H12Cl2 and a molecular weight of 203.11 g/mol. Its IUPAC name is 2,4-dichloro-1-ethyl-3,5-dimethylbenzene.

Molecular Properties

Compound Name2,4-dichloro-1-ethyl-3,5-dimethylbenzene
PubChem CID89248881
Molecular FormulaC10H12Cl2
Molecular Weight203.11 g/mol
Exact Mass202.03
IUPAC Name2,4-dichloro-1-ethyl-3,5-dimethylbenzene
SMILESCCc1cc(C)c(Cl)c(C)c1Cl
InChIInChI=1S/C10H12Cl2/c1-4-8-5-6(2)9(11)7(3)10(8)12/h5H,4H2,1-3H3
InChIKeyWWGAUDVWFHDEOY-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.11
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,4-dichloro-1-ethyl-3,5-dimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-ethyl-3,5-dimethylbenzene?
The IUPAC name of 2,4-dichloro-1-ethyl-3,5-dimethylbenzene (CID 89248881) is 2,4-dichloro-1-ethyl-3,5-dimethylbenzene.
What is the SMILES notation for 2,4-dichloro-1-ethyl-3,5-dimethylbenzene?
The canonical SMILES for 2,4-dichloro-1-ethyl-3,5-dimethylbenzene is CCc1cc(C)c(Cl)c(C)c1Cl.
What is the InChIKey of 2,4-dichloro-1-ethyl-3,5-dimethylbenzene?
The InChIKey is WWGAUDVWFHDEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2/c1-4-8-5-6(2)9(11)7(3)10(8)12/h5H,4H2,1-3H3.
What are the key properties of 2,4-dichloro-1-ethyl-3,5-dimethylbenzene?
2,4-dichloro-1-ethyl-3,5-dimethylbenzene has a molecular weight of 203.11 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-ethyl-3,5-dimethylbenzene is sourced from PubChem (CID 89248881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).