2-(4-methylphenyl)-3-octyl-1H-indene

C24H30 — CID 21095685

IUPAC2-(4-methylphenyl)-3-octyl-1H-indene
SMILESCCCCCCCCC1=C(c2ccc(C)cc2)Cc2ccccc21
InChIInChI=1S/C24H30/c1-3-4-5-6-7-8-13-23-22-12-10-9-11-21(22)18-24(23)20-16-14-19(2)15-17-20/h9-12,14-17H,3-8,13,18H2,1-2H3
InChIKeyHQABLDFBLDXJMQ-UHFFFAOYSA-N
MW318.50 g/mol
LogP7.21
Rot. Bonds8

About 2-(4-methylphenyl)-3-octyl-1H-indene

2-(4-methylphenyl)-3-octyl-1H-indene (PubChem CID 21095685) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-octyl-1H-indene.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-octyl-1H-indene
PubChem CID21095685
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name2-(4-methylphenyl)-3-octyl-1H-indene
SMILESCCCCCCCCC1=C(c2ccc(C)cc2)Cc2ccccc21
InChIInChI=1S/C24H30/c1-3-4-5-6-7-8-13-23-22-12-10-9-11-21(22)18-24(23)20-16-14-19(2)15-17-20/h9-12,14-17H,3-8,13,18H2,1-2H3
InChIKeyHQABLDFBLDXJMQ-UHFFFAOYSA-N
XLogP7.21
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 ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(3-pentyl-1H-inden-2-yl)naphthalene
CID 173084421
3-butyl-4-methyl-2-(4-methylphenyl)-1H-indene
CID 102158163
3-butyl-2-methyl-1H-indene
CID 15422807
3-butyl-2-(2,3,4-trimethylphenyl)-1H-indene
CID 173084970
9H-fluorene;henicosane
CID 174789372
3-butyl-2-propyl-1H-indene
CID 141343467
9H-fluorene;nonylbenzene
CID 161236553
3-propyl-2-(2-propylphenyl)-1H-indene
CID 173084830
(E)-1-(3-hexyl-1H-inden-2-yl)but-2-en-1-one
CID 174634339
bis(3-butyl-1H-inden-2-yl)-dimethylsilane
CID 22395100
bis(9H-fluorene);pentane
CID 159146463
1,2-dioctyl-3-phenyl-9H-fluorene
CID 140695586

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-octyl-1H-indene?
The IUPAC name of 2-(4-methylphenyl)-3-octyl-1H-indene (CID 21095685) is 2-(4-methylphenyl)-3-octyl-1H-indene.
What is the SMILES notation for 2-(4-methylphenyl)-3-octyl-1H-indene?
The canonical SMILES for 2-(4-methylphenyl)-3-octyl-1H-indene is CCCCCCCCC1=C(c2ccc(C)cc2)Cc2ccccc21.
What is the InChIKey of 2-(4-methylphenyl)-3-octyl-1H-indene?
The InChIKey is HQABLDFBLDXJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30/c1-3-4-5-6-7-8-13-23-22-12-10-9-11-21(22)18-24(23)20-16-14-19(2)15-17-20/h9-12,14-17H,3-8,13,18H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-3-octyl-1H-indene?
2-(4-methylphenyl)-3-octyl-1H-indene has a molecular weight of 318.50 g/mol, XLogP of 7.21, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-octyl-1H-indene is sourced from PubChem (CID 21095685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).