2-butyl-5-tert-butyl-4-(3,5-dimethylphenyl)-1H-indene

C25H32 — CID 87702765

IUPAC2-butyl-5-tert-butyl-4-(3,5-dimethylphenyl)-1H-indene
SMILESCCCCC1=Cc2c(ccc(C(C)(C)C)c2-c2cc(C)cc(C)c2)C1
InChIInChI=1S/C25H32/c1-7-8-9-19-15-20-10-11-23(25(4,5)6)24(22(20)16-19)21-13-17(2)12-18(3)14-21/h10-14,16H,7-9,15H2,1-6H3
InChIKeyWPEIBEMCXTZQEA-UHFFFAOYSA-N
MW332.53 g/mol
LogP7.40
Rot. Bonds4

About 2-butyl-5-tert-butyl-4-(3,5-dimethylphenyl)-1H-indene

2-butyl-5-tert-butyl-4-(3,5-dimethylphenyl)-1H-indene (PubChem CID 87702765) has the molecular formula C25H32 and a molecular weight of 332.53 g/mol. Its IUPAC name is 2-butyl-5-tert-butyl-4-(3,5-dimethylphenyl)-1H-indene.

Molecular Properties

Compound Name2-butyl-5-tert-butyl-4-(3,5-dimethylphenyl)-1H-indene
PubChem CID87702765
Molecular FormulaC25H32
Molecular Weight332.53 g/mol
Exact Mass332.25
IUPAC Name2-butyl-5-tert-butyl-4-(3,5-dimethylphenyl)-1H-indene
SMILESCCCCC1=Cc2c(ccc(C(C)(C)C)c2-c2cc(C)cc(C)c2)C1
InChIInChI=1S/C25H32/c1-7-8-9-19-15-20-10-11-23(25(4,5)6)24(22(20)16-19)21-13-17(2)12-18(3)14-21/h10-14,16H,7-9,15H2,1-6H3
InChIKeyWPEIBEMCXTZQEA-UHFFFAOYSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-butyl-4-(3,5-dimethylphenyl)-5-ethyl-1H-indene
CID 87703373
2-butyl-5-tert-butyl-4-(2-ethylphenyl)-1H-indene
CID 87703297
5-tert-butyl-4-(2-phenylphenyl)-2-propyl-1H-indene
CID 87702713
2-butyl-4-(3,5-dimethylphenyl)-5,6,7-trimethyl-1H-indene
CID 87984646
2-butyl-4,7-bis(3,5-dimethylphenyl)-1H-indene
CID 87142110
5-tert-butyl-4-[3,5-di(propan-2-yl)phenyl]-2-(2-methylpropyl)-1H-indene
CID 87702668
6-tert-butyl-4-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-5-methoxy-1H-indene
CID 153438197
5-tert-butyl-4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-indene
CID 87703601
4-(3,5-ditert-butylphenyl)-2-(2-methylpropyl)-5-propyl-1H-indene
CID 87702811
2-butyl-5-propan-2-yl-4-(2-propan-2-ylphenyl)-1H-indene
CID 87703016
2-butyl-4-(2-phenylphenyl)-1H-indene
CID 154024612
4-(4-tert-butylphenyl)-7-methyl-2-pentyl-1H-indene
CID 87188884

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-tert-butyl-4-(3,5-dimethylphenyl)-1H-indene?
The IUPAC name of 2-butyl-5-tert-butyl-4-(3,5-dimethylphenyl)-1H-indene (CID 87702765) is 2-butyl-5-tert-butyl-4-(3,5-dimethylphenyl)-1H-indene.
What is the SMILES notation for 2-butyl-5-tert-butyl-4-(3,5-dimethylphenyl)-1H-indene?
The canonical SMILES for 2-butyl-5-tert-butyl-4-(3,5-dimethylphenyl)-1H-indene is CCCCC1=Cc2c(ccc(C(C)(C)C)c2-c2cc(C)cc(C)c2)C1.
What is the InChIKey of 2-butyl-5-tert-butyl-4-(3,5-dimethylphenyl)-1H-indene?
The InChIKey is WPEIBEMCXTZQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32/c1-7-8-9-19-15-20-10-11-23(25(4,5)6)24(22(20)16-19)21-13-17(2)12-18(3)14-21/h10-14,16H,7-9,15H2,1-6H3.
What are the key properties of 2-butyl-5-tert-butyl-4-(3,5-dimethylphenyl)-1H-indene?
2-butyl-5-tert-butyl-4-(3,5-dimethylphenyl)-1H-indene has a molecular weight of 332.53 g/mol, XLogP of 7.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-tert-butyl-4-(3,5-dimethylphenyl)-1H-indene is sourced from PubChem (CID 87702765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).