2-butyl-5-tert-butyl-4-(2-ethylphenyl)-1H-indene

C25H32 — CID 87703297

IUPAC2-butyl-5-tert-butyl-4-(2-ethylphenyl)-1H-indene
SMILESCCCCC1=Cc2c(ccc(C(C)(C)C)c2-c2ccccc2CC)C1
InChIInChI=1S/C25H32/c1-6-8-11-18-16-20-14-15-23(25(3,4)5)24(22(20)17-18)21-13-10-9-12-19(21)7-2/h9-10,12-15,17H,6-8,11,16H2,1-5H3
InChIKeyQWBIMWUMNYPQLX-UHFFFAOYSA-N
MW332.53 g/mol
LogP7.34
Rot. Bonds5

About 2-butyl-5-tert-butyl-4-(2-ethylphenyl)-1H-indene

2-butyl-5-tert-butyl-4-(2-ethylphenyl)-1H-indene (PubChem CID 87703297) has the molecular formula C25H32 and a molecular weight of 332.53 g/mol. Its IUPAC name is 2-butyl-5-tert-butyl-4-(2-ethylphenyl)-1H-indene.

Molecular Properties

Compound Name2-butyl-5-tert-butyl-4-(2-ethylphenyl)-1H-indene
PubChem CID87703297
Molecular FormulaC25H32
Molecular Weight332.53 g/mol
Exact Mass332.25
IUPAC Name2-butyl-5-tert-butyl-4-(2-ethylphenyl)-1H-indene
SMILESCCCCC1=Cc2c(ccc(C(C)(C)C)c2-c2ccccc2CC)C1
InChIInChI=1S/C25H32/c1-6-8-11-18-16-20-14-15-23(25(3,4)5)24(22(20)17-18)21-13-10-9-12-19(21)7-2/h9-10,12-15,17H,6-8,11,16H2,1-5H3
InChIKeyQWBIMWUMNYPQLX-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-butyl-5-tert-butyl-4-(3,5-dimethylphenyl)-1H-indene
CID 87702765
4-(2-ethylphenyl)-2-(2-methylpropyl)-5-propyl-1H-indene
CID 87703800
2-butyl-5-propan-2-yl-4-(2-propan-2-ylphenyl)-1H-indene
CID 87703016
2-butyl-4-(3,5-dimethylphenyl)-5-ethyl-1H-indene
CID 87703373
5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene
CID 87702809
2,5-diethyl-4-(2-methylphenyl)-1H-indene
CID 87702914
5-ethyl-4-phenyl-2-propyl-1H-indene
CID 87703151
2-butyl-4-(2-phenylphenyl)-1H-indene
CID 154024612
4-(2-methylphenyl)-2-(2-methylpropyl)-5-propyl-1H-indene
CID 87702877
2-butyl-4-hex-1-enyl-1H-indene
CID 173192519
4-(2-ethylphenyl)-2-(2-methylpropyl)-1H-indene
CID 87905875
5-methyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-indene
CID 87702540

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-tert-butyl-4-(2-ethylphenyl)-1H-indene?
The IUPAC name of 2-butyl-5-tert-butyl-4-(2-ethylphenyl)-1H-indene (CID 87703297) is 2-butyl-5-tert-butyl-4-(2-ethylphenyl)-1H-indene.
What is the SMILES notation for 2-butyl-5-tert-butyl-4-(2-ethylphenyl)-1H-indene?
The canonical SMILES for 2-butyl-5-tert-butyl-4-(2-ethylphenyl)-1H-indene is CCCCC1=Cc2c(ccc(C(C)(C)C)c2-c2ccccc2CC)C1.
What is the InChIKey of 2-butyl-5-tert-butyl-4-(2-ethylphenyl)-1H-indene?
The InChIKey is QWBIMWUMNYPQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32/c1-6-8-11-18-16-20-14-15-23(25(3,4)5)24(22(20)17-18)21-13-10-9-12-19(21)7-2/h9-10,12-15,17H,6-8,11,16H2,1-5H3.
What are the key properties of 2-butyl-5-tert-butyl-4-(2-ethylphenyl)-1H-indene?
2-butyl-5-tert-butyl-4-(2-ethylphenyl)-1H-indene has a molecular weight of 332.53 g/mol, XLogP of 7.34, 5 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-(2-ethylphenyl)-1H-indene is sourced from PubChem (CID 87703297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).