3-hydroxy-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one

C20H21NO3 — CID 3149315

IUPAC3-hydroxy-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one
SMILESCc1ccc2c(c1)C(O)(CC(=O)c1ccc(C(C)C)cc1)C(=O)N2
InChIInChI=1S/C20H21NO3/c1-12(2)14-5-7-15(8-6-14)18(22)11-20(24)16-10-13(3)4-9-17(16)21-19(20)23/h4-10,12,24H,11H2,1-3H3,(H,21,23)
InChIKeyBEOASMXADXLRGA-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.53
Rot. Bonds4

About 3-hydroxy-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one

3-hydroxy-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one (PubChem CID 3149315) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-hydroxy-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one
PubChem CID3149315
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name3-hydroxy-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one
SMILESCc1ccc2c(c1)C(O)(CC(=O)c1ccc(C(C)C)cc1)C(=O)N2
InChIInChI=1S/C20H21NO3/c1-12(2)14-5-7-15(8-6-14)18(22)11-20(24)16-10-13(3)4-9-17(16)21-19(20)23/h4-10,12,24H,11H2,1-3H3,(H,21,23)
InChIKeyBEOASMXADXLRGA-UHFFFAOYSA-N
XLogP3.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
CID 1320855
(3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one
CID 682358
3,5-dihydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 72734849
(3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425817
(3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425949
(3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one
CID 796109
(3R)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one
CID 957709
5-bromo-3-hydroxy-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 2938310
3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
CID 3699611
3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
CID 46360620
3-[2-(4-chlorophenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one
CID 2860905
(3R)-5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 796025

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one?
The IUPAC name of 3-hydroxy-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one (CID 3149315) is 3-hydroxy-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one is Cc1ccc2c(c1)C(O)(CC(=O)c1ccc(C(C)C)cc1)C(=O)N2.
What is the InChIKey of 3-hydroxy-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one?
The InChIKey is BEOASMXADXLRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-12(2)14-5-7-15(8-6-14)18(22)11-20(24)16-10-13(3)4-9-17(16)21-19(20)23/h4-10,12,24H,11H2,1-3H3,(H,21,23).
What are the key properties of 3-hydroxy-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one?
3-hydroxy-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one has a molecular weight of 323.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one is sourced from PubChem (CID 3149315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).