4-(4-butylphenyl)-2,5,6,7-tetramethyl-1H-indene

C23H28 — CID 174762546

IUPAC4-(4-butylphenyl)-2,5,6,7-tetramethyl-1H-indene
SMILESCCCCc1ccc(-c2c(C)c(C)c(C)c3c2C=C(C)C3)cc1
InChIInChI=1S/C23H28/c1-6-7-8-19-9-11-20(12-10-19)23-18(5)16(3)17(4)21-13-15(2)14-22(21)23/h9-12,14H,6-8,13H2,1-5H3
InChIKeyQQHCDBMUVTVUHA-UHFFFAOYSA-N
MW304.48 g/mol
LogP6.58
Rot. Bonds4

About 4-(4-butylphenyl)-2,5,6,7-tetramethyl-1H-indene

4-(4-butylphenyl)-2,5,6,7-tetramethyl-1H-indene (PubChem CID 174762546) has the molecular formula C23H28 and a molecular weight of 304.48 g/mol. Its IUPAC name is 4-(4-butylphenyl)-2,5,6,7-tetramethyl-1H-indene.

Molecular Properties

Compound Name4-(4-butylphenyl)-2,5,6,7-tetramethyl-1H-indene
PubChem CID174762546
Molecular FormulaC23H28
Molecular Weight304.48 g/mol
Exact Mass304.22
IUPAC Name4-(4-butylphenyl)-2,5,6,7-tetramethyl-1H-indene
SMILESCCCCc1ccc(-c2c(C)c(C)c(C)c3c2C=C(C)C3)cc1
InChIInChI=1S/C23H28/c1-6-7-8-19-9-11-20(12-10-19)23-18(5)16(3)17(4)21-13-15(2)14-22(21)23/h9-12,14H,6-8,13H2,1-5H3
InChIKeyQQHCDBMUVTVUHA-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-butyl-4-(3,5-dimethylphenyl)-5,6,7-trimethyl-1H-indene
CID 87984646
1-butyl-4-(2,4-dimethylcyclopenta-1,4-dien-1-yl)benzene
CID 139929581
4,5-bis(4-butylphenyl)cyclopent-4-ene-1,2,3-trione
CID 132941130
4-[2,6-bis(4-butylphenyl)pyran-4-ylidene]-2,6-bis(4-butylphenyl)pyran
CID 101479929
1-butyl-4-(4-ethylphenyl)benzene;ethane
CID 145367281
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
5-[3,5-bis(4-butylphenyl)-2,4,6-trimethylphenyl]-2-phenylpyridine
CID 140777693
5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene
CID 123525703
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
2,6-dimethyl-4-(4-propylphenyl)-1H-indene
CID 87521295
1-butyl-4-phenylbenzene;ethane
CID 143743409
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenyl)-2,5,6,7-tetramethyl-1H-indene?
The IUPAC name of 4-(4-butylphenyl)-2,5,6,7-tetramethyl-1H-indene (CID 174762546) is 4-(4-butylphenyl)-2,5,6,7-tetramethyl-1H-indene.
What is the SMILES notation for 4-(4-butylphenyl)-2,5,6,7-tetramethyl-1H-indene?
The canonical SMILES for 4-(4-butylphenyl)-2,5,6,7-tetramethyl-1H-indene is CCCCc1ccc(-c2c(C)c(C)c(C)c3c2C=C(C)C3)cc1.
What is the InChIKey of 4-(4-butylphenyl)-2,5,6,7-tetramethyl-1H-indene?
The InChIKey is QQHCDBMUVTVUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28/c1-6-7-8-19-9-11-20(12-10-19)23-18(5)16(3)17(4)21-13-15(2)14-22(21)23/h9-12,14H,6-8,13H2,1-5H3.
What are the key properties of 4-(4-butylphenyl)-2,5,6,7-tetramethyl-1H-indene?
4-(4-butylphenyl)-2,5,6,7-tetramethyl-1H-indene has a molecular weight of 304.48 g/mol, XLogP of 6.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenyl)-2,5,6,7-tetramethyl-1H-indene is sourced from PubChem (CID 174762546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).