1-tert-butyl-3-methyl-5-[1-(4-methylphenyl)ethyl]benzene

C20H26 — CID 143472092

IUPAC1-tert-butyl-3-methyl-5-[1-(4-methylphenyl)ethyl]benzene
SMILESCc1ccc(C(C)c2cc(C)cc(C(C)(C)C)c2)cc1
InChIInChI=1S/C20H26/c1-14-7-9-17(10-8-14)16(3)18-11-15(2)12-19(13-18)20(4,5)6/h7-13,16H,1-6H3
InChIKeyZOXUHSQWWMUDQB-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.75
Rot. Bonds2

About 1-tert-butyl-3-methyl-5-[1-(4-methylphenyl)ethyl]benzene

1-tert-butyl-3-methyl-5-[1-(4-methylphenyl)ethyl]benzene (PubChem CID 143472092) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-5-[1-(4-methylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-3-methyl-5-[1-(4-methylphenyl)ethyl]benzene
PubChem CID143472092
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name1-tert-butyl-3-methyl-5-[1-(4-methylphenyl)ethyl]benzene
SMILESCc1ccc(C(C)c2cc(C)cc(C(C)(C)C)c2)cc1
InChIInChI=1S/C20H26/c1-14-7-9-17(10-8-14)16(3)18-11-15(2)12-19(13-18)20(4,5)6/h7-13,16H,1-6H3
InChIKeyZOXUHSQWWMUDQB-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-tert-butyl-3-methyl-5-[1-(4-methylphenyl)ethyl]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-tert-butyl-3-methyl-5-[1-(4-methylphenyl)ethyl]benzene?
The IUPAC name of 1-tert-butyl-3-methyl-5-[1-(4-methylphenyl)ethyl]benzene (CID 143472092) is 1-tert-butyl-3-methyl-5-[1-(4-methylphenyl)ethyl]benzene.
What is the SMILES notation for 1-tert-butyl-3-methyl-5-[1-(4-methylphenyl)ethyl]benzene?
The canonical SMILES for 1-tert-butyl-3-methyl-5-[1-(4-methylphenyl)ethyl]benzene is Cc1ccc(C(C)c2cc(C)cc(C(C)(C)C)c2)cc1.
What is the InChIKey of 1-tert-butyl-3-methyl-5-[1-(4-methylphenyl)ethyl]benzene?
The InChIKey is ZOXUHSQWWMUDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-14-7-9-17(10-8-14)16(3)18-11-15(2)12-19(13-18)20(4,5)6/h7-13,16H,1-6H3.
What are the key properties of 1-tert-butyl-3-methyl-5-[1-(4-methylphenyl)ethyl]benzene?
1-tert-butyl-3-methyl-5-[1-(4-methylphenyl)ethyl]benzene has a molecular weight of 266.43 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methyl-5-[1-(4-methylphenyl)ethyl]benzene is sourced from PubChem (CID 143472092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).