1,4-dimethoxy-2,3,5,6-tetramethylbenzene

C12H18O2 — CID 601765

IUPAC1,4-dimethoxy-2,3,5,6-tetramethylbenzene
SMILESCOc1c(C)c(C)c(OC)c(C)c1C
InChIInChI=1S/C12H18O2/c1-7-8(2)12(14-6)10(4)9(3)11(7)13-5/h1-6H3
InChIKeyCPDNGRVWRPXTGS-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.94
Rot. Bonds2

About 1,4-dimethoxy-2,3,5,6-tetramethylbenzene

1,4-dimethoxy-2,3,5,6-tetramethylbenzene (PubChem CID 601765) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1,4-dimethoxy-2,3,5,6-tetramethylbenzene.

Molecular Properties

Compound Name1,4-dimethoxy-2,3,5,6-tetramethylbenzene
PubChem CID601765
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1,4-dimethoxy-2,3,5,6-tetramethylbenzene
SMILESCOc1c(C)c(C)c(OC)c(C)c1C
InChIInChI=1S/C12H18O2/c1-7-8(2)12(14-6)10(4)9(3)11(7)13-5/h1-6H3
InChIKeyCPDNGRVWRPXTGS-UHFFFAOYSA-N
XLogP2.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,4-dimethoxy-2,3,5,6-tetramethylbenzene 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-dimethoxy-2,3,5,6-tetramethylbenzene?
The IUPAC name of 1,4-dimethoxy-2,3,5,6-tetramethylbenzene (CID 601765) is 1,4-dimethoxy-2,3,5,6-tetramethylbenzene.
What is the SMILES notation for 1,4-dimethoxy-2,3,5,6-tetramethylbenzene?
The canonical SMILES for 1,4-dimethoxy-2,3,5,6-tetramethylbenzene is COc1c(C)c(C)c(OC)c(C)c1C.
What is the InChIKey of 1,4-dimethoxy-2,3,5,6-tetramethylbenzene?
The InChIKey is CPDNGRVWRPXTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-7-8(2)12(14-6)10(4)9(3)11(7)13-5/h1-6H3.
What are the key properties of 1,4-dimethoxy-2,3,5,6-tetramethylbenzene?
1,4-dimethoxy-2,3,5,6-tetramethylbenzene has a molecular weight of 194.27 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2,3,5,6-tetramethylbenzene is sourced from PubChem (CID 601765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).