2-ethyl-3-methyl-3-(2-methylphenyl)-1-propyl-1,2-dihydroindene

C22H28 — CID 71341749

IUPAC2-ethyl-3-methyl-3-(2-methylphenyl)-1-propyl-1,2-dihydroindene
SMILESCCCC1c2ccccc2C(C)(c2ccccc2C)C1CC
InChIInChI=1S/C22H28/c1-5-11-17-18-13-8-10-15-21(18)22(4,19(17)6-2)20-14-9-7-12-16(20)3/h7-10,12-15,17,19H,5-6,11H2,1-4H3
InChIKeyUDZHHFKNKBQOFA-UHFFFAOYSA-N
MW292.47 g/mol
LogP6.22
Rot. Bonds4

About 2-ethyl-3-methyl-3-(2-methylphenyl)-1-propyl-1,2-dihydroindene

2-ethyl-3-methyl-3-(2-methylphenyl)-1-propyl-1,2-dihydroindene (PubChem CID 71341749) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-ethyl-3-methyl-3-(2-methylphenyl)-1-propyl-1,2-dihydroindene.

Molecular Properties

Compound Name2-ethyl-3-methyl-3-(2-methylphenyl)-1-propyl-1,2-dihydroindene
PubChem CID71341749
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name2-ethyl-3-methyl-3-(2-methylphenyl)-1-propyl-1,2-dihydroindene
SMILESCCCC1c2ccccc2C(C)(c2ccccc2C)C1CC
InChIInChI=1S/C22H28/c1-5-11-17-18-13-8-10-15-21(18)22(4,19(17)6-2)20-14-9-7-12-16(20)3/h7-10,12-15,17,19H,5-6,11H2,1-4H3
InChIKeyUDZHHFKNKBQOFA-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-3-(2-methylphenyl)-1-propyl-1,2-dihydroindene?
The IUPAC name of 2-ethyl-3-methyl-3-(2-methylphenyl)-1-propyl-1,2-dihydroindene (CID 71341749) is 2-ethyl-3-methyl-3-(2-methylphenyl)-1-propyl-1,2-dihydroindene.
What is the SMILES notation for 2-ethyl-3-methyl-3-(2-methylphenyl)-1-propyl-1,2-dihydroindene?
The canonical SMILES for 2-ethyl-3-methyl-3-(2-methylphenyl)-1-propyl-1,2-dihydroindene is CCCC1c2ccccc2C(C)(c2ccccc2C)C1CC.
What is the InChIKey of 2-ethyl-3-methyl-3-(2-methylphenyl)-1-propyl-1,2-dihydroindene?
The InChIKey is UDZHHFKNKBQOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28/c1-5-11-17-18-13-8-10-15-21(18)22(4,19(17)6-2)20-14-9-7-12-16(20)3/h7-10,12-15,17,19H,5-6,11H2,1-4H3.
What are the key properties of 2-ethyl-3-methyl-3-(2-methylphenyl)-1-propyl-1,2-dihydroindene?
2-ethyl-3-methyl-3-(2-methylphenyl)-1-propyl-1,2-dihydroindene has a molecular weight of 292.47 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-3-(2-methylphenyl)-1-propyl-1,2-dihydroindene is sourced from PubChem (CID 71341749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).