1-ethyl-2-methyl-3,4-bis(4-methylphenyl)benzene

C23H24 — CID 173306177

IUPAC1-ethyl-2-methyl-3,4-bis(4-methylphenyl)benzene
SMILESCCc1ccc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)c1C
InChIInChI=1S/C23H24/c1-5-19-14-15-22(20-10-6-16(2)7-11-20)23(18(19)4)21-12-8-17(3)9-13-21/h6-15H,5H2,1-4H3
InChIKeyWCXSRRBCJRZYOZ-UHFFFAOYSA-N
MW300.45 g/mol
LogP6.51
Rot. Bonds3

About 1-ethyl-2-methyl-3,4-bis(4-methylphenyl)benzene

1-ethyl-2-methyl-3,4-bis(4-methylphenyl)benzene (PubChem CID 173306177) has the molecular formula C23H24 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-ethyl-2-methyl-3,4-bis(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-ethyl-2-methyl-3,4-bis(4-methylphenyl)benzene
PubChem CID173306177
Molecular FormulaC23H24
Molecular Weight300.45 g/mol
Exact Mass300.19
IUPAC Name1-ethyl-2-methyl-3,4-bis(4-methylphenyl)benzene
SMILESCCc1ccc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)c1C
InChIInChI=1S/C23H24/c1-5-19-14-15-22(20-10-6-16(2)7-11-20)23(18(19)4)21-12-8-17(3)9-13-21/h6-15H,5H2,1-4H3
InChIKeyWCXSRRBCJRZYOZ-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.45
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethyl-2-methyl-3,4-bis(4-methylphenyl)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-ethyl-2-methyl-3,4-bis(4-methylphenyl)benzene?
The IUPAC name of 1-ethyl-2-methyl-3,4-bis(4-methylphenyl)benzene (CID 173306177) is 1-ethyl-2-methyl-3,4-bis(4-methylphenyl)benzene.
What is the SMILES notation for 1-ethyl-2-methyl-3,4-bis(4-methylphenyl)benzene?
The canonical SMILES for 1-ethyl-2-methyl-3,4-bis(4-methylphenyl)benzene is CCc1ccc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)c1C.
What is the InChIKey of 1-ethyl-2-methyl-3,4-bis(4-methylphenyl)benzene?
The InChIKey is WCXSRRBCJRZYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24/c1-5-19-14-15-22(20-10-6-16(2)7-11-20)23(18(19)4)21-12-8-17(3)9-13-21/h6-15H,5H2,1-4H3.
What are the key properties of 1-ethyl-2-methyl-3,4-bis(4-methylphenyl)benzene?
1-ethyl-2-methyl-3,4-bis(4-methylphenyl)benzene has a molecular weight of 300.45 g/mol, XLogP of 6.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-3,4-bis(4-methylphenyl)benzene is sourced from PubChem (CID 173306177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).