(3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one

C19H19NO3 — CID 696392

IUPAC(3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one
SMILESCc1cc(C)c(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)cc1C
InChIInChI=1S/C19H19NO3/c1-11-8-13(3)14(9-12(11)2)17(21)10-19(23)15-6-4-5-7-16(15)20-18(19)22/h4-9,23H,10H2,1-3H3,(H,20,22)/t19-/m0/s1
InChIKeyUSRORBOLLJWNMP-IBGZPJMESA-N
MW309.37 g/mol
LogP3.02
Rot. Bonds3

About (3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one

(3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one (PubChem CID 696392) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one
PubChem CID696392
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one
SMILESCc1cc(C)c(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)cc1C
InChIInChI=1S/C19H19NO3/c1-11-8-13(3)14(9-12(11)2)17(21)10-19(23)15-6-4-5-7-16(15)20-18(19)22/h4-9,23H,10H2,1-3H3,(H,20,22)/t19-/m0/s1
InChIKeyUSRORBOLLJWNMP-IBGZPJMESA-N
XLogP3.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-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

Related Compounds

3-hydroxy-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 3152125
(3R)-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 1425587
3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one
CID 3838372
N-[2-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]acetamide
CID 95278271
(3S)-3-[2-(9H-fluoren-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 27183391
(3R)-3-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 39890045
(3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2059550
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2255217
(3S)-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 806524
(3S)-3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 7012905
3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
CID 46360620
N-[4-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide
CID 1091973

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one?
The IUPAC name of (3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one (CID 696392) is (3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one.
What is the SMILES notation for (3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one?
The canonical SMILES for (3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one is Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)cc1C.
What is the InChIKey of (3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one?
The InChIKey is USRORBOLLJWNMP-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19NO3/c1-11-8-13(3)14(9-12(11)2)17(21)10-19(23)15-6-4-5-7-16(15)20-18(19)22/h4-9,23H,10H2,1-3H3,(H,20,22)/t19-/m0/s1.
What are the key properties of (3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one?
(3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one has a molecular weight of 309.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one is sourced from PubChem (CID 696392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).