2-(4-phenylbutyl)-1-propyl-1H-indene

C22H26 — CID 58673845

IUPAC2-(4-phenylbutyl)-1-propyl-1H-indene
SMILESCCCC1C(CCCCc2ccccc2)=Cc2ccccc21
InChIInChI=1S/C22H26/c1-2-10-21-19(17-20-15-8-9-16-22(20)21)14-7-6-13-18-11-4-3-5-12-18/h3-5,8-9,11-12,15-17,21H,2,6-7,10,13-14H2,1H3
InChIKeyCIRALQXZTJUMGK-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.38
Rot. Bonds7

About 2-(4-phenylbutyl)-1-propyl-1H-indene

2-(4-phenylbutyl)-1-propyl-1H-indene (PubChem CID 58673845) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(4-phenylbutyl)-1-propyl-1H-indene.

Molecular Properties

Compound Name2-(4-phenylbutyl)-1-propyl-1H-indene
PubChem CID58673845
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name2-(4-phenylbutyl)-1-propyl-1H-indene
SMILESCCCC1C(CCCCc2ccccc2)=Cc2ccccc21
InChIInChI=1S/C22H26/c1-2-10-21-19(17-20-15-8-9-16-22(20)21)14-7-6-13-18-11-4-3-5-12-18/h3-5,8-9,11-12,15-17,21H,2,6-7,10,13-14H2,1H3
InChIKeyCIRALQXZTJUMGK-UHFFFAOYSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene
CID 139962800
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
1,2-diethyl-1H-indene
CID 54262428
4-phenylbutylbenzene
CID 141301927
1-decyl-2-phenyl-1H-indene
CID 91542453
hexylbenzene;hydrogen peroxide
CID 90001206
azane;tetradecylbenzene
CID 70503489
CID 67791041
CID 67791041

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylbutyl)-1-propyl-1H-indene?
The IUPAC name of 2-(4-phenylbutyl)-1-propyl-1H-indene (CID 58673845) is 2-(4-phenylbutyl)-1-propyl-1H-indene.
What is the SMILES notation for 2-(4-phenylbutyl)-1-propyl-1H-indene?
The canonical SMILES for 2-(4-phenylbutyl)-1-propyl-1H-indene is CCCC1C(CCCCc2ccccc2)=Cc2ccccc21.
What is the InChIKey of 2-(4-phenylbutyl)-1-propyl-1H-indene?
The InChIKey is CIRALQXZTJUMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-2-10-21-19(17-20-15-8-9-16-22(20)21)14-7-6-13-18-11-4-3-5-12-18/h3-5,8-9,11-12,15-17,21H,2,6-7,10,13-14H2,1H3.
What are the key properties of 2-(4-phenylbutyl)-1-propyl-1H-indene?
2-(4-phenylbutyl)-1-propyl-1H-indene has a molecular weight of 290.45 g/mol, XLogP of 6.38, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylbutyl)-1-propyl-1H-indene is sourced from PubChem (CID 58673845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).