(3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one

C20H21NO3 — CID 9350130

IUPAC(3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one
SMILESCCc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(C)cc1C)C(=O)N2
InChIInChI=1S/C20H21NO3/c1-4-14-6-8-17-16(10-14)20(24,19(23)21-17)11-18(22)15-7-5-12(2)9-13(15)3/h5-10,24H,4,11H2,1-3H3,(H,21,23)/t20-/m1/s1
InChIKeyMJGHYMYUOYVGNW-HXUWFJFHSA-N
MW323.39 g/mol
LogP3.28
Rot. Bonds4

About (3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one

(3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one (PubChem CID 9350130) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one
PubChem CID9350130
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one
SMILESCCc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(C)cc1C)C(=O)N2
InChIInChI=1S/C20H21NO3/c1-4-14-6-8-17-16(10-14)20(24,19(23)21-17)11-18(22)15-7-5-12(2)9-13(15)3/h5-10,24H,4,11H2,1-3H3,(H,21,23)/t20-/m1/s1
InChIKeyMJGHYMYUOYVGNW-HXUWFJFHSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2796418
3-[2-(4-chlorophenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one
CID 2860905
(3R)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one
CID 9350127
(3S)-5-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one
CID 1075623
(3R)-5-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 957686
(3R)-5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 796025
3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
CID 46360620
(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
3-hydroxy-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one
CID 3149315
(3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425817

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one?
The IUPAC name of (3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one (CID 9350130) is (3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for (3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one?
The canonical SMILES for (3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one is CCc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(C)cc1C)C(=O)N2.
What is the InChIKey of (3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one?
The InChIKey is MJGHYMYUOYVGNW-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21NO3/c1-4-14-6-8-17-16(10-14)20(24,19(23)21-17)11-18(22)15-7-5-12(2)9-13(15)3/h5-10,24H,4,11H2,1-3H3,(H,21,23)/t20-/m1/s1.
What are the key properties of (3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one?
(3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one has a molecular weight of 323.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 9350130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).