1,4-dichloro-2-methoxy-3,5,6-trimethylbenzene

C10H12Cl2O — CID 130350720

IUPAC1,4-dichloro-2-methoxy-3,5,6-trimethylbenzene
SMILESCOc1c(C)c(Cl)c(C)c(C)c1Cl
InChIInChI=1S/C10H12Cl2O/c1-5-6(2)9(12)10(13-4)7(3)8(5)11/h1-4H3
InChIKeyKAXVHOZQHQGPAV-UHFFFAOYSA-N
MW219.11 g/mol
LogP3.93
Rot. Bonds1

About 1,4-dichloro-2-methoxy-3,5,6-trimethylbenzene

1,4-dichloro-2-methoxy-3,5,6-trimethylbenzene (PubChem CID 130350720) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is 1,4-dichloro-2-methoxy-3,5,6-trimethylbenzene.

Molecular Properties

Compound Name1,4-dichloro-2-methoxy-3,5,6-trimethylbenzene
PubChem CID130350720
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Name1,4-dichloro-2-methoxy-3,5,6-trimethylbenzene
SMILESCOc1c(C)c(Cl)c(C)c(C)c1Cl
InChIInChI=1S/C10H12Cl2O/c1-5-6(2)9(12)10(13-4)7(3)8(5)11/h1-4H3
InChIKeyKAXVHOZQHQGPAV-UHFFFAOYSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,4-dichloro-2-methoxy-3,5,6-trimethylbenzene 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 1,4-dichloro-2-methoxy-3,5,6-trimethylbenzene?
The IUPAC name of 1,4-dichloro-2-methoxy-3,5,6-trimethylbenzene (CID 130350720) is 1,4-dichloro-2-methoxy-3,5,6-trimethylbenzene.
What is the SMILES notation for 1,4-dichloro-2-methoxy-3,5,6-trimethylbenzene?
The canonical SMILES for 1,4-dichloro-2-methoxy-3,5,6-trimethylbenzene is COc1c(C)c(Cl)c(C)c(C)c1Cl.
What is the InChIKey of 1,4-dichloro-2-methoxy-3,5,6-trimethylbenzene?
The InChIKey is KAXVHOZQHQGPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O/c1-5-6(2)9(12)10(13-4)7(3)8(5)11/h1-4H3.
What are the key properties of 1,4-dichloro-2-methoxy-3,5,6-trimethylbenzene?
1,4-dichloro-2-methoxy-3,5,6-trimethylbenzene has a molecular weight of 219.11 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-methoxy-3,5,6-trimethylbenzene is sourced from PubChem (CID 130350720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).