4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene

C17H20 — CID 123136977

IUPAC4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene
SMILESCCc1cc(-c2ccc(C)c(C)c2)ccc1C
InChIInChI=1S/C17H20/c1-5-15-11-17(9-7-13(15)3)16-8-6-12(2)14(4)10-16/h6-11H,5H2,1-4H3
InChIKeyFYTMUBQBNFOYRZ-UHFFFAOYSA-N
MW224.35 g/mol
LogP4.84
Rot. Bonds2

About 4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene

4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene (PubChem CID 123136977) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene
PubChem CID123136977
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene
SMILESCCc1cc(-c2ccc(C)c(C)c2)ccc1C
InChIInChI=1S/C17H20/c1-5-15-11-17(9-7-13(15)3)16-8-6-12(2)14(4)10-16/h6-11H,5H2,1-4H3
InChIKeyFYTMUBQBNFOYRZ-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene with MolForge

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

Launch Full Analysis

Related Compounds

2-ethyl-1-methyl-4-(4-methylphenyl)benzene
CID 59090118
4-(3,4-dimethylphenyl)-2-ethylaniline
CID 81287148
4-(4-chlorophenyl)-2-ethyl-1-methylbenzene
CID 22968913
2-ethyl-1-methyl-4-(4-propylphenyl)benzene
CID 123879424
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293
2-ethyl-4-(2-iodophenyl)-1-methylbenzene
CID 142879515
4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene
CID 159618631
2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene
CID 123325932
1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone
CID 159972126
5-(3,4-dimethylphenyl)-2-methylbenzenesulfonyl chloride
CID 82307954
1-ethyl-3,5-dimethylbenzene;2-ethyl-1,4-dimethylbenzene
CID 160945990
3-ethyl-4-methylaniline;hydrochloride
CID 23499109

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene?
The IUPAC name of 4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene (CID 123136977) is 4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene?
The canonical SMILES for 4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene is CCc1cc(-c2ccc(C)c(C)c2)ccc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene?
The InChIKey is FYTMUBQBNFOYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-5-15-11-17(9-7-13(15)3)16-8-6-12(2)14(4)10-16/h6-11H,5H2,1-4H3.
What are the key properties of 4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene?
4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene has a molecular weight of 224.35 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene is sourced from PubChem (CID 123136977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).