2-hexyl-4-(4-propylphenyl)-1H-indene

C24H30 — CID 22507887

IUPAC2-hexyl-4-(4-propylphenyl)-1H-indene
SMILESCCCCCCC1=Cc2c(cccc2-c2ccc(CCC)cc2)C1
InChIInChI=1S/C24H30/c1-3-5-6-7-10-20-17-22-11-8-12-23(24(22)18-20)21-15-13-19(9-4-2)14-16-21/h8,11-16,18H,3-7,9-10,17H2,1-2H3
InChIKeyHDKVUIZKLKLIDR-UHFFFAOYSA-N
MW318.50 g/mol
LogP7.22
Rot. Bonds8

About 2-hexyl-4-(4-propylphenyl)-1H-indene

2-hexyl-4-(4-propylphenyl)-1H-indene (PubChem CID 22507887) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 2-hexyl-4-(4-propylphenyl)-1H-indene.

Molecular Properties

Compound Name2-hexyl-4-(4-propylphenyl)-1H-indene
PubChem CID22507887
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name2-hexyl-4-(4-propylphenyl)-1H-indene
SMILESCCCCCCC1=Cc2c(cccc2-c2ccc(CCC)cc2)C1
InChIInChI=1S/C24H30/c1-3-5-6-7-10-20-17-22-11-8-12-23(24(22)18-20)21-15-13-19(9-4-2)14-16-21/h8,11-16,18H,3-7,9-10,17H2,1-2H3
InChIKeyHDKVUIZKLKLIDR-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 57.22
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-(cycloheptylmethyl)-4-(4-propylphenyl)-1H-indene
CID 87475663
2-butyl-4-(2-phenylphenyl)-1H-indene
CID 154024612
2-phenyl-4-(4-propylphenyl)-1H-indene;zirconium
CID 174563339
4-(4-chlorophenyl)-2-ethyl-1H-indene
CID 18008260
2-(2-butyl-1H-inden-4-yl)-1,3-oxazole
CID 173192643
2-pentyl-1H-phenalene
CID 175230709
1,2-bis(4-octadecylphenyl)-9H-fluorene
CID 150394649
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
3-(2-propyl-1H-inden-4-yl)quinoline
CID 159825483
9H-fluorene;nonylbenzene
CID 161236553
5-[[4-(2-ethyl-1H-inden-4-yl)phenyl]methyl]-2-methoxybenzenethiol
CID 173192624
2,6-dimethyl-4-(4-propylphenyl)-1H-indene
CID 87521295

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-4-(4-propylphenyl)-1H-indene?
The IUPAC name of 2-hexyl-4-(4-propylphenyl)-1H-indene (CID 22507887) is 2-hexyl-4-(4-propylphenyl)-1H-indene.
What is the SMILES notation for 2-hexyl-4-(4-propylphenyl)-1H-indene?
The canonical SMILES for 2-hexyl-4-(4-propylphenyl)-1H-indene is CCCCCCC1=Cc2c(cccc2-c2ccc(CCC)cc2)C1.
What is the InChIKey of 2-hexyl-4-(4-propylphenyl)-1H-indene?
The InChIKey is HDKVUIZKLKLIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30/c1-3-5-6-7-10-20-17-22-11-8-12-23(24(22)18-20)21-15-13-19(9-4-2)14-16-21/h8,11-16,18H,3-7,9-10,17H2,1-2H3.
What are the key properties of 2-hexyl-4-(4-propylphenyl)-1H-indene?
2-hexyl-4-(4-propylphenyl)-1H-indene has a molecular weight of 318.50 g/mol, XLogP of 7.22, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-4-(4-propylphenyl)-1H-indene is sourced from PubChem (CID 22507887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).