3-propyl-2-(2-propylphenyl)-1H-indene

C21H24 — CID 173084830

IUPAC3-propyl-2-(2-propylphenyl)-1H-indene
SMILESCCCC1=C(c2ccccc2CCC)Cc2ccccc21
InChIInChI=1S/C21H24/c1-3-9-16-11-5-7-13-18(16)21-15-17-12-6-8-14-19(17)20(21)10-4-2/h5-8,11-14H,3-4,9-10,15H2,1-2H3
InChIKeyFUISAVWELQYLNZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP5.91
Rot. Bonds5

About 3-propyl-2-(2-propylphenyl)-1H-indene

3-propyl-2-(2-propylphenyl)-1H-indene (PubChem CID 173084830) has the molecular formula C21H24 and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-propyl-2-(2-propylphenyl)-1H-indene.

Molecular Properties

Compound Name3-propyl-2-(2-propylphenyl)-1H-indene
PubChem CID173084830
Molecular FormulaC21H24
Molecular Weight276.42 g/mol
Exact Mass276.19
IUPAC Name3-propyl-2-(2-propylphenyl)-1H-indene
SMILESCCCC1=C(c2ccccc2CCC)Cc2ccccc21
InChIInChI=1S/C21H24/c1-3-9-16-11-5-7-13-18(16)21-15-17-12-6-8-14-19(17)20(21)10-4-2/h5-8,11-14H,3-4,9-10,15H2,1-2H3
InChIKeyFUISAVWELQYLNZ-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-(2-propylphenyl)-1H-indene
CID 173085124
3-methyl-2-(3-propyl-1H-inden-2-yl)-1H-pyrrole
CID 173085144
3-methyl-2-(3-propyl-1H-inden-2-yl)furan
CID 173084813
3,4-dimethyl-2-(3-propyl-1H-inden-2-yl)thiophene
CID 173084225
1-(3-pentyl-1H-inden-2-yl)naphthalene
CID 173084421
3-butyl-2-(2,3,4-trimethylphenyl)-1H-indene
CID 173084970
2-(4-methylphenyl)-3-octyl-1H-indene
CID 21095685
3-butyl-2-propyl-1H-indene
CID 141343467
2-(3-methyl-1H-inden-2-yl)-3-propylthiophene
CID 173084535
3-butyl-2-methyl-1H-indene
CID 15422807
3-ethyl-2-(2,3,4-trimethylphenyl)-1H-indene
CID 173085149
bis(9H-fluorene);pentane
CID 159146463

Frequently Asked Questions

What is the IUPAC name of 3-propyl-2-(2-propylphenyl)-1H-indene?
The IUPAC name of 3-propyl-2-(2-propylphenyl)-1H-indene (CID 173084830) is 3-propyl-2-(2-propylphenyl)-1H-indene.
What is the SMILES notation for 3-propyl-2-(2-propylphenyl)-1H-indene?
The canonical SMILES for 3-propyl-2-(2-propylphenyl)-1H-indene is CCCC1=C(c2ccccc2CCC)Cc2ccccc21.
What is the InChIKey of 3-propyl-2-(2-propylphenyl)-1H-indene?
The InChIKey is FUISAVWELQYLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24/c1-3-9-16-11-5-7-13-18(16)21-15-17-12-6-8-14-19(17)20(21)10-4-2/h5-8,11-14H,3-4,9-10,15H2,1-2H3.
What are the key properties of 3-propyl-2-(2-propylphenyl)-1H-indene?
3-propyl-2-(2-propylphenyl)-1H-indene has a molecular weight of 276.42 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2-(2-propylphenyl)-1H-indene is sourced from PubChem (CID 173084830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).