1-[(2-ethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one

C20H21NO4 — CID 6499592

IUPAC1-[(2-ethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
SMILESCCOc1ccccc1CN1C(=O)C(O)(CC(C)=O)c2ccccc21
InChIInChI=1S/C20H21NO4/c1-3-25-18-11-7-4-8-15(18)13-21-17-10-6-5-9-16(17)20(24,19(21)23)12-14(2)22/h4-11,24H,3,12-13H2,1-2H3
InChIKeyUAORNAFOKKQHOR-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.80
Rot. Bonds6

About 1-[(2-ethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one

1-[(2-ethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one (PubChem CID 6499592) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-[(2-ethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one.

Molecular Properties

Compound Name1-[(2-ethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
PubChem CID6499592
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name1-[(2-ethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
SMILESCCOc1ccccc1CN1C(=O)C(O)(CC(C)=O)c2ccccc21
InChIInChI=1S/C20H21NO4/c1-3-25-18-11-7-4-8-15(18)13-21-17-10-6-5-9-16(17)20(24,19(21)23)12-14(2)22/h4-11,24H,3,12-13H2,1-2H3
InChIKeyUAORNAFOKKQHOR-UHFFFAOYSA-N
XLogP2.80
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-ethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)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

1-[(2-ethoxyphenyl)methyl]-3-hydroxy-5-methyl-3-(2-oxopropyl)indol-2-one
CID 6499625
(3R)-4,7-dichloro-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 7444837
(3R)-3-hydroxy-7-methyl-3-(2-oxopropyl)-1-[(2-prop-2-enoxyphenyl)methyl]indol-2-one
CID 41254791
(3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one
CID 7444545
1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 18888241
(3R)-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 7444539
3-hydroxy-1-(3-naphthalen-1-yloxypropyl)-3-(2-oxopropyl)indol-2-one
CID 6499622
(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 1313604
(3S)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 7647831
6,7-dichloro-3-hydroxy-3-(2-oxopropyl)-1-[(2-pentoxyphenyl)methyl]indol-2-one
CID 18888654
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
CID 2914331
(3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-5-methyl-3-(2-oxopropyl)indol-2-one
CID 7444630

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one?
The IUPAC name of 1-[(2-ethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one (CID 6499592) is 1-[(2-ethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one.
What is the SMILES notation for 1-[(2-ethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one?
The canonical SMILES for 1-[(2-ethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one is CCOc1ccccc1CN1C(=O)C(O)(CC(C)=O)c2ccccc21.
What is the InChIKey of 1-[(2-ethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one?
The InChIKey is UAORNAFOKKQHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-3-25-18-11-7-4-8-15(18)13-21-17-10-6-5-9-16(17)20(24,19(21)23)12-14(2)22/h4-11,24H,3,12-13H2,1-2H3.
What are the key properties of 1-[(2-ethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one?
1-[(2-ethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one has a molecular weight of 339.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one is sourced from PubChem (CID 6499592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).