5-[hydroxy-(2-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one

C17H17NO2 — CID 82172747

IUPAC5-[hydroxy-(2-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1ccccc1C(O)c1cc(C)c2c(c1)CC(=O)N2
InChIInChI=1S/C17H17NO2/c1-10-5-3-4-6-14(10)17(20)13-7-11(2)16-12(8-13)9-15(19)18-16/h3-8,17,20H,9H2,1-2H3,(H,18,19)
InChIKeyXOWPARJYCNVKLO-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.88
Rot. Bonds2

About 5-[hydroxy-(2-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one

5-[hydroxy-(2-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 82172747) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-[hydroxy-(2-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[hydroxy-(2-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID82172747
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name5-[hydroxy-(2-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1ccccc1C(O)c1cc(C)c2c(c1)CC(=O)N2
InChIInChI=1S/C17H17NO2/c1-10-5-3-4-6-14(10)17(20)13-7-11(2)16-12(8-13)9-15(19)18-16/h3-8,17,20H,9H2,1-2H3,(H,18,19)
InChIKeyXOWPARJYCNVKLO-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[hydroxy-(2-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-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 5-[hydroxy-(2-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[hydroxy-(2-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one (CID 82172747) is 5-[hydroxy-(2-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[hydroxy-(2-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[hydroxy-(2-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one is Cc1ccccc1C(O)c1cc(C)c2c(c1)CC(=O)N2.
What is the InChIKey of 5-[hydroxy-(2-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is XOWPARJYCNVKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-10-5-3-4-6-14(10)17(20)13-7-11(2)16-12(8-13)9-15(19)18-16/h3-8,17,20H,9H2,1-2H3,(H,18,19).
What are the key properties of 5-[hydroxy-(2-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one?
5-[hydroxy-(2-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy-(2-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).