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

C23H28 — CID 87703373

IUPAC2-butyl-4-(3,5-dimethylphenyl)-5-ethyl-1H-indene
SMILESCCCCC1=Cc2c(ccc(CC)c2-c2cc(C)cc(C)c2)C1
InChIInChI=1S/C23H28/c1-5-7-8-18-14-20-10-9-19(6-2)23(22(20)15-18)21-12-16(3)11-17(4)13-21/h9-13,15H,5-8,14H2,1-4H3
InChIKeyGSHLWBOCZYONGG-UHFFFAOYSA-N
MW304.48 g/mol
LogP6.66
Rot. Bonds5

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

2-butyl-4-(3,5-dimethylphenyl)-5-ethyl-1H-indene (PubChem CID 87703373) has the molecular formula C23H28 and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-butyl-4-(3,5-dimethylphenyl)-5-ethyl-1H-indene.

Molecular Properties

Compound Name2-butyl-4-(3,5-dimethylphenyl)-5-ethyl-1H-indene
PubChem CID87703373
Molecular FormulaC23H28
Molecular Weight304.48 g/mol
Exact Mass304.22
IUPAC Name2-butyl-4-(3,5-dimethylphenyl)-5-ethyl-1H-indene
SMILESCCCCC1=Cc2c(ccc(CC)c2-c2cc(C)cc(C)c2)C1
InChIInChI=1S/C23H28/c1-5-7-8-18-14-20-10-9-19(6-2)23(22(20)15-18)21-12-16(3)11-17(4)13-21/h9-13,15H,5-8,14H2,1-4H3
InChIKeyGSHLWBOCZYONGG-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 56.66
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-(3,5-dimethylphenyl)-5-ethyl-2-propan-2-yl-1H-indene
CID 87703077
5-ethyl-4-phenyl-2-propyl-1H-indene
CID 87703151
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
2-butyl-5-tert-butyl-4-(2-ethylphenyl)-1H-indene
CID 87703297
2,5-diethyl-4-(2-methylphenyl)-1H-indene
CID 87702914
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-[3-(4,7-diethyl-1H-inden-2-yl)propyl]-4,7-diethyl-1H-indene
CID 18462186
2-(2-methylpropyl)-4-phenyl-5-propyl-1H-indene
CID 87703739
[3-(5-ethyl-2-propan-2-yl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane
CID 87703672

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-(3,5-dimethylphenyl)-5-ethyl-1H-indene?
The IUPAC name of 2-butyl-4-(3,5-dimethylphenyl)-5-ethyl-1H-indene (CID 87703373) is 2-butyl-4-(3,5-dimethylphenyl)-5-ethyl-1H-indene.
What is the SMILES notation for 2-butyl-4-(3,5-dimethylphenyl)-5-ethyl-1H-indene?
The canonical SMILES for 2-butyl-4-(3,5-dimethylphenyl)-5-ethyl-1H-indene is CCCCC1=Cc2c(ccc(CC)c2-c2cc(C)cc(C)c2)C1.
What is the InChIKey of 2-butyl-4-(3,5-dimethylphenyl)-5-ethyl-1H-indene?
The InChIKey is GSHLWBOCZYONGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28/c1-5-7-8-18-14-20-10-9-19(6-2)23(22(20)15-18)21-12-16(3)11-17(4)13-21/h9-13,15H,5-8,14H2,1-4H3.
What are the key properties of 2-butyl-4-(3,5-dimethylphenyl)-5-ethyl-1H-indene?
2-butyl-4-(3,5-dimethylphenyl)-5-ethyl-1H-indene has a molecular weight of 304.48 g/mol, XLogP of 6.66, 5 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-ethyl-1H-indene is sourced from PubChem (CID 87703373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).