1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene

C18H22 — CID 22967951

IUPAC1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene
SMILESCc1ccc(C)c(-c2c(C)ccc(C)c2C)c1C
InChIInChI=1S/C18H22/c1-11-7-9-13(3)17(15(11)5)18-14(4)10-8-12(2)16(18)6/h7-10H,1-6H3
InChIKeyFCWYRBCCSKTSDP-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.20
Rot. Bonds1

About 1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene

1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene (PubChem CID 22967951) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene.

Molecular Properties

Compound Name1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene
PubChem CID22967951
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene
SMILESCc1ccc(C)c(-c2c(C)ccc(C)c2C)c1C
InChIInChI=1S/C18H22/c1-11-7-9-13(3)17(15(11)5)18-14(4)10-8-12(2)16(18)6/h7-10H,1-6H3
InChIKeyFCWYRBCCSKTSDP-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene 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 1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene?
The IUPAC name of 1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene (CID 22967951) is 1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene.
What is the SMILES notation for 1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene?
The canonical SMILES for 1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene is Cc1ccc(C)c(-c2c(C)ccc(C)c2C)c1C.
What is the InChIKey of 1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene?
The InChIKey is FCWYRBCCSKTSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-11-7-9-13(3)17(15(11)5)18-14(4)10-8-12(2)16(18)6/h7-10H,1-6H3.
What are the key properties of 1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene?
1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene has a molecular weight of 238.37 g/mol, XLogP of 5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene is sourced from PubChem (CID 22967951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).