4-(2-ethylphenyl)-2-(2-methylpropyl)-5-propyl-1H-indene

C24H30 — CID 87703800

IUPAC4-(2-ethylphenyl)-2-(2-methylpropyl)-5-propyl-1H-indene
SMILESCCCc1ccc2c(c1-c1ccccc1CC)C=C(CC(C)C)C2
InChIInChI=1S/C24H30/c1-5-9-20-12-13-21-15-18(14-17(3)4)16-23(21)24(20)22-11-8-7-10-19(22)6-2/h7-8,10-13,16-17H,5-6,9,14-15H2,1-4H3
InChIKeyAJWMDZIQHNUNMT-UHFFFAOYSA-N
MW318.50 g/mol
LogP6.85
Rot. Bonds6

About 4-(2-ethylphenyl)-2-(2-methylpropyl)-5-propyl-1H-indene

4-(2-ethylphenyl)-2-(2-methylpropyl)-5-propyl-1H-indene (PubChem CID 87703800) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 4-(2-ethylphenyl)-2-(2-methylpropyl)-5-propyl-1H-indene.

Molecular Properties

Compound Name4-(2-ethylphenyl)-2-(2-methylpropyl)-5-propyl-1H-indene
PubChem CID87703800
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name4-(2-ethylphenyl)-2-(2-methylpropyl)-5-propyl-1H-indene
SMILESCCCc1ccc2c(c1-c1ccccc1CC)C=C(CC(C)C)C2
InChIInChI=1S/C24H30/c1-5-9-20-12-13-21-15-18(14-17(3)4)16-23(21)24(20)22-11-8-7-10-19(22)6-2/h7-8,10-13,16-17H,5-6,9,14-15H2,1-4H3
InChIKeyAJWMDZIQHNUNMT-UHFFFAOYSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenyl)-2-(2-methylpropyl)-5-propyl-1H-indene?
The IUPAC name of 4-(2-ethylphenyl)-2-(2-methylpropyl)-5-propyl-1H-indene (CID 87703800) is 4-(2-ethylphenyl)-2-(2-methylpropyl)-5-propyl-1H-indene.
What is the SMILES notation for 4-(2-ethylphenyl)-2-(2-methylpropyl)-5-propyl-1H-indene?
The canonical SMILES for 4-(2-ethylphenyl)-2-(2-methylpropyl)-5-propyl-1H-indene is CCCc1ccc2c(c1-c1ccccc1CC)C=C(CC(C)C)C2.
What is the InChIKey of 4-(2-ethylphenyl)-2-(2-methylpropyl)-5-propyl-1H-indene?
The InChIKey is AJWMDZIQHNUNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30/c1-5-9-20-12-13-21-15-18(14-17(3)4)16-23(21)24(20)22-11-8-7-10-19(22)6-2/h7-8,10-13,16-17H,5-6,9,14-15H2,1-4H3.
What are the key properties of 4-(2-ethylphenyl)-2-(2-methylpropyl)-5-propyl-1H-indene?
4-(2-ethylphenyl)-2-(2-methylpropyl)-5-propyl-1H-indene has a molecular weight of 318.50 g/mol, XLogP of 6.85, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenyl)-2-(2-methylpropyl)-5-propyl-1H-indene is sourced from PubChem (CID 87703800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).