2-(2-butyl-6-propan-2-yl-1H-inden-4-yl)naphthalene

C26H28 — CID 161273622

IUPAC2-(2-butyl-6-propan-2-yl-1H-inden-4-yl)naphthalene
SMILESCCCCC1=Cc2c(cc(C(C)C)cc2-c2ccc3ccccc3c2)C1
InChIInChI=1S/C26H28/c1-4-5-8-19-13-24-16-23(18(2)3)17-26(25(24)14-19)22-12-11-20-9-6-7-10-21(20)15-22/h6-7,9-12,14-18H,4-5,8,13H2,1-3H3
InChIKeyLXEQKWBCZYBBRP-UHFFFAOYSA-N
MW340.51 g/mol
LogP7.76
Rot. Bonds5

About 2-(2-butyl-6-propan-2-yl-1H-inden-4-yl)naphthalene

2-(2-butyl-6-propan-2-yl-1H-inden-4-yl)naphthalene (PubChem CID 161273622) has the molecular formula C26H28 and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-(2-butyl-6-propan-2-yl-1H-inden-4-yl)naphthalene.

Molecular Properties

Compound Name2-(2-butyl-6-propan-2-yl-1H-inden-4-yl)naphthalene
PubChem CID161273622
Molecular FormulaC26H28
Molecular Weight340.51 g/mol
Exact Mass340.22
IUPAC Name2-(2-butyl-6-propan-2-yl-1H-inden-4-yl)naphthalene
SMILESCCCCC1=Cc2c(cc(C(C)C)cc2-c2ccc3ccccc3c2)C1
InChIInChI=1S/C26H28/c1-4-5-8-19-13-24-16-23(18(2)3)17-26(25(24)14-19)22-12-11-20-9-6-7-10-21(20)15-22/h6-7,9-12,14-18H,4-5,8,13H2,1-3H3
InChIKeyLXEQKWBCZYBBRP-UHFFFAOYSA-N
XLogP7.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-phenyl-6-propan-2-yl-2-propyl-1H-indene
CID 158001235
2-(2-butylphenyl)naphthalene
CID 58626566
2-(2-pentan-2-yl-1H-inden-4-yl)naphthalene
CID 23105539
2-butyl-4-(2-phenylphenyl)-1H-indene
CID 154024612
2-butyl-5-propan-2-yl-4-(2-propan-2-ylphenyl)-1H-indene
CID 87703016
2-[2-[(1-ethylcyclopentyl)methyl]-1H-inden-4-yl]naphthalene
CID 87381641
2-hexyl-4-(4-propylphenyl)-1H-indene
CID 22507887
3-(2-propyl-1H-inden-4-yl)quinoline
CID 159825483
2-butyl-4-(3,5-dimethylphenyl)-5-ethyl-1H-indene
CID 87703373
1,3-dibutyl-5-propan-2-ylbenzene
CID 19812391
2-pentyl-1H-phenalene
CID 175230709
5-methyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-indene
CID 87702540

Frequently Asked Questions

What is the IUPAC name of 2-(2-butyl-6-propan-2-yl-1H-inden-4-yl)naphthalene?
The IUPAC name of 2-(2-butyl-6-propan-2-yl-1H-inden-4-yl)naphthalene (CID 161273622) is 2-(2-butyl-6-propan-2-yl-1H-inden-4-yl)naphthalene.
What is the SMILES notation for 2-(2-butyl-6-propan-2-yl-1H-inden-4-yl)naphthalene?
The canonical SMILES for 2-(2-butyl-6-propan-2-yl-1H-inden-4-yl)naphthalene is CCCCC1=Cc2c(cc(C(C)C)cc2-c2ccc3ccccc3c2)C1.
What is the InChIKey of 2-(2-butyl-6-propan-2-yl-1H-inden-4-yl)naphthalene?
The InChIKey is LXEQKWBCZYBBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28/c1-4-5-8-19-13-24-16-23(18(2)3)17-26(25(24)14-19)22-12-11-20-9-6-7-10-21(20)15-22/h6-7,9-12,14-18H,4-5,8,13H2,1-3H3.
What are the key properties of 2-(2-butyl-6-propan-2-yl-1H-inden-4-yl)naphthalene?
2-(2-butyl-6-propan-2-yl-1H-inden-4-yl)naphthalene has a molecular weight of 340.51 g/mol, XLogP of 7.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyl-6-propan-2-yl-1H-inden-4-yl)naphthalene is sourced from PubChem (CID 161273622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).