2-ethyl-1-methyl-4-(4-propylphenyl)benzene

C18H22 — CID 123879424

IUPAC2-ethyl-1-methyl-4-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(C)c(CC)c2)cc1
InChIInChI=1S/C18H22/c1-4-6-15-8-11-17(12-9-15)18-10-7-14(3)16(5-2)13-18/h7-13H,4-6H2,1-3H3
InChIKeyQDTBRCKLDBGHNA-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.18
Rot. Bonds4

About 2-ethyl-1-methyl-4-(4-propylphenyl)benzene

2-ethyl-1-methyl-4-(4-propylphenyl)benzene (PubChem CID 123879424) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-ethyl-1-methyl-4-(4-propylphenyl)benzene.

Molecular Properties

Compound Name2-ethyl-1-methyl-4-(4-propylphenyl)benzene
PubChem CID123879424
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name2-ethyl-1-methyl-4-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(C)c(CC)c2)cc1
InChIInChI=1S/C18H22/c1-4-6-15-8-11-17(12-9-15)18-10-7-14(3)16(5-2)13-18/h7-13H,4-6H2,1-3H3
InChIKeyQDTBRCKLDBGHNA-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-ethyl-1-methyl-4-(4-propylphenyl)benzene 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-ethyl-1-methylbenzene
CID 123136977
2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 59933450
4-(4-chlorophenyl)-2-ethyl-1-methylbenzene
CID 22968913
2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene
CID 123325932
1-ethyl-4-(4-ethylphenyl)-2-propylbenzene
CID 143540689
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 142281639
1-methyl-4-phenyl-2-(4-propylphenyl)benzene
CID 123627409
4-(3-ethylphenyl)-1-methyl-2-propylbenzene
CID 145461377
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-4-(4-propylphenyl)benzene?
The IUPAC name of 2-ethyl-1-methyl-4-(4-propylphenyl)benzene (CID 123879424) is 2-ethyl-1-methyl-4-(4-propylphenyl)benzene.
What is the SMILES notation for 2-ethyl-1-methyl-4-(4-propylphenyl)benzene?
The canonical SMILES for 2-ethyl-1-methyl-4-(4-propylphenyl)benzene is CCCc1ccc(-c2ccc(C)c(CC)c2)cc1.
What is the InChIKey of 2-ethyl-1-methyl-4-(4-propylphenyl)benzene?
The InChIKey is QDTBRCKLDBGHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-4-6-15-8-11-17(12-9-15)18-10-7-14(3)16(5-2)13-18/h7-13H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-1-methyl-4-(4-propylphenyl)benzene?
2-ethyl-1-methyl-4-(4-propylphenyl)benzene has a molecular weight of 238.37 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-4-(4-propylphenyl)benzene is sourced from PubChem (CID 123879424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).