2,6,6-trimethyl-1-(2-phenylethyl)-5,7-dihydroindol-4-one

C19H23NO — CID 63464793

IUPAC2,6,6-trimethyl-1-(2-phenylethyl)-5,7-dihydroindol-4-one
SMILESCc1cc2c(n1CCc1ccccc1)CC(C)(C)CC2=O
InChIInChI=1S/C19H23NO/c1-14-11-16-17(12-19(2,3)13-18(16)21)20(14)10-9-15-7-5-4-6-8-15/h4-8,11H,9-10,12-13H2,1-3H3
InChIKeyGEPQGYYLKLDYAF-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.19
Rot. Bonds3

About 2,6,6-trimethyl-1-(2-phenylethyl)-5,7-dihydroindol-4-one

2,6,6-trimethyl-1-(2-phenylethyl)-5,7-dihydroindol-4-one (PubChem CID 63464793) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-(2-phenylethyl)-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name2,6,6-trimethyl-1-(2-phenylethyl)-5,7-dihydroindol-4-one
PubChem CID63464793
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2,6,6-trimethyl-1-(2-phenylethyl)-5,7-dihydroindol-4-one
SMILESCc1cc2c(n1CCc1ccccc1)CC(C)(C)CC2=O
InChIInChI=1S/C19H23NO/c1-14-11-16-17(12-19(2,3)13-18(16)21)20(14)10-9-15-7-5-4-6-8-15/h4-8,11H,9-10,12-13H2,1-3H3
InChIKeyGEPQGYYLKLDYAF-UHFFFAOYSA-N
XLogP4.19
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,6,6-trimethyl-1-(2-phenylethyl)-5,7-dihydroindol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-(2-phenylethyl)-5,7-dihydroindol-4-one?
The IUPAC name of 2,6,6-trimethyl-1-(2-phenylethyl)-5,7-dihydroindol-4-one (CID 63464793) is 2,6,6-trimethyl-1-(2-phenylethyl)-5,7-dihydroindol-4-one.
What is the SMILES notation for 2,6,6-trimethyl-1-(2-phenylethyl)-5,7-dihydroindol-4-one?
The canonical SMILES for 2,6,6-trimethyl-1-(2-phenylethyl)-5,7-dihydroindol-4-one is Cc1cc2c(n1CCc1ccccc1)CC(C)(C)CC2=O.
What is the InChIKey of 2,6,6-trimethyl-1-(2-phenylethyl)-5,7-dihydroindol-4-one?
The InChIKey is GEPQGYYLKLDYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-11-16-17(12-19(2,3)13-18(16)21)20(14)10-9-15-7-5-4-6-8-15/h4-8,11H,9-10,12-13H2,1-3H3.
What are the key properties of 2,6,6-trimethyl-1-(2-phenylethyl)-5,7-dihydroindol-4-one?
2,6,6-trimethyl-1-(2-phenylethyl)-5,7-dihydroindol-4-one has a molecular weight of 281.40 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1-(2-phenylethyl)-5,7-dihydroindol-4-one is sourced from PubChem (CID 63464793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).