2-butyl-4-(3,5-dimethylphenyl)-5,6,7-trimethyl-1H-indene

C24H30 — CID 87984646

IUPAC2-butyl-4-(3,5-dimethylphenyl)-5,6,7-trimethyl-1H-indene
SMILESCCCCC1=Cc2c(c(C)c(C)c(C)c2-c2cc(C)cc(C)c2)C1
InChIInChI=1S/C24H30/c1-7-8-9-20-13-22-18(5)17(4)19(6)24(23(22)14-20)21-11-15(2)10-16(3)12-21/h10-12,14H,7-9,13H2,1-6H3
InChIKeySVGWXINDVFKGJZ-UHFFFAOYSA-N
MW318.50 g/mol
LogP7.03
Rot. Bonds4

About 2-butyl-4-(3,5-dimethylphenyl)-5,6,7-trimethyl-1H-indene

2-butyl-4-(3,5-dimethylphenyl)-5,6,7-trimethyl-1H-indene (PubChem CID 87984646) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 2-butyl-4-(3,5-dimethylphenyl)-5,6,7-trimethyl-1H-indene.

Molecular Properties

Compound Name2-butyl-4-(3,5-dimethylphenyl)-5,6,7-trimethyl-1H-indene
PubChem CID87984646
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name2-butyl-4-(3,5-dimethylphenyl)-5,6,7-trimethyl-1H-indene
SMILESCCCCC1=Cc2c(c(C)c(C)c(C)c2-c2cc(C)cc(C)c2)C1
InChIInChI=1S/C24H30/c1-7-8-9-20-13-22-18(5)17(4)19(6)24(23(22)14-20)21-11-15(2)10-16(3)12-21/h10-12,14H,7-9,13H2,1-6H3
InChIKeySVGWXINDVFKGJZ-UHFFFAOYSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-butyl-4-(3,5-dimethylphenyl)-5,6,7-trimethyl-1H-indene 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 2-butyl-4-(3,5-dimethylphenyl)-5,6,7-trimethyl-1H-indene?
The IUPAC name of 2-butyl-4-(3,5-dimethylphenyl)-5,6,7-trimethyl-1H-indene (CID 87984646) is 2-butyl-4-(3,5-dimethylphenyl)-5,6,7-trimethyl-1H-indene.
What is the SMILES notation for 2-butyl-4-(3,5-dimethylphenyl)-5,6,7-trimethyl-1H-indene?
The canonical SMILES for 2-butyl-4-(3,5-dimethylphenyl)-5,6,7-trimethyl-1H-indene is CCCCC1=Cc2c(c(C)c(C)c(C)c2-c2cc(C)cc(C)c2)C1.
What is the InChIKey of 2-butyl-4-(3,5-dimethylphenyl)-5,6,7-trimethyl-1H-indene?
The InChIKey is SVGWXINDVFKGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30/c1-7-8-9-20-13-22-18(5)17(4)19(6)24(23(22)14-20)21-11-15(2)10-16(3)12-21/h10-12,14H,7-9,13H2,1-6H3.
What are the key properties of 2-butyl-4-(3,5-dimethylphenyl)-5,6,7-trimethyl-1H-indene?
2-butyl-4-(3,5-dimethylphenyl)-5,6,7-trimethyl-1H-indene has a molecular weight of 318.50 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(3,5-dimethylphenyl)-5,6,7-trimethyl-1H-indene is sourced from PubChem (CID 87984646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).