2-(2,6,6-trimethyl-4-oxo-1-phenyl-5,7-dihydroindol-3-yl)acetic acid

C19H21NO3 — CID 5298292

IUPAC2-(2,6,6-trimethyl-4-oxo-1-phenyl-5,7-dihydroindol-3-yl)acetic acid
SMILESCc1c(CC(=O)O)c2c(n1-c1ccccc1)CC(C)(C)CC2=O
InChIInChI=1S/C19H21NO3/c1-12-14(9-17(22)23)18-15(10-19(2,3)11-16(18)21)20(12)13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3,(H,22,23)
InChIKeyXCICHVNQSQCVJY-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.57
Rot. Bonds3

About 2-(2,6,6-trimethyl-4-oxo-1-phenyl-5,7-dihydroindol-3-yl)acetic acid

2-(2,6,6-trimethyl-4-oxo-1-phenyl-5,7-dihydroindol-3-yl)acetic acid (PubChem CID 5298292) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(2,6,6-trimethyl-4-oxo-1-phenyl-5,7-dihydroindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2,6,6-trimethyl-4-oxo-1-phenyl-5,7-dihydroindol-3-yl)acetic acid
PubChem CID5298292
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-(2,6,6-trimethyl-4-oxo-1-phenyl-5,7-dihydroindol-3-yl)acetic acid
SMILESCc1c(CC(=O)O)c2c(n1-c1ccccc1)CC(C)(C)CC2=O
InChIInChI=1S/C19H21NO3/c1-12-14(9-17(22)23)18-15(10-19(2,3)11-16(18)21)20(12)13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3,(H,22,23)
InChIKeyXCICHVNQSQCVJY-UHFFFAOYSA-N
XLogP3.57
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6,6-trimethyl-4-oxo-1-phenyl-5,7-dihydroindol-3-yl)acetic acid?
The IUPAC name of 2-(2,6,6-trimethyl-4-oxo-1-phenyl-5,7-dihydroindol-3-yl)acetic acid (CID 5298292) is 2-(2,6,6-trimethyl-4-oxo-1-phenyl-5,7-dihydroindol-3-yl)acetic acid.
What is the SMILES notation for 2-(2,6,6-trimethyl-4-oxo-1-phenyl-5,7-dihydroindol-3-yl)acetic acid?
The canonical SMILES for 2-(2,6,6-trimethyl-4-oxo-1-phenyl-5,7-dihydroindol-3-yl)acetic acid is Cc1c(CC(=O)O)c2c(n1-c1ccccc1)CC(C)(C)CC2=O.
What is the InChIKey of 2-(2,6,6-trimethyl-4-oxo-1-phenyl-5,7-dihydroindol-3-yl)acetic acid?
The InChIKey is XCICHVNQSQCVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-12-14(9-17(22)23)18-15(10-19(2,3)11-16(18)21)20(12)13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3,(H,22,23).
What are the key properties of 2-(2,6,6-trimethyl-4-oxo-1-phenyl-5,7-dihydroindol-3-yl)acetic acid?
2-(2,6,6-trimethyl-4-oxo-1-phenyl-5,7-dihydroindol-3-yl)acetic acid has a molecular weight of 311.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6,6-trimethyl-4-oxo-1-phenyl-5,7-dihydroindol-3-yl)acetic acid is sourced from PubChem (CID 5298292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).