1-ethyl-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one

C18H17NO4 — CID 2908702

IUPAC1-ethyl-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one
SMILESCCN1C(=O)C(O)(CC(=O)c2ccccc2O)c2ccccc21
InChIInChI=1S/C18H17NO4/c1-2-19-14-9-5-4-8-13(14)18(23,17(19)22)11-16(21)12-7-3-6-10-15(12)20/h3-10,20,23H,2,11H2,1H3
InChIKeyBWEUFNXCVHGOEF-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.22
Rot. Bonds4

About 1-ethyl-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one

1-ethyl-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one (PubChem CID 2908702) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-ethyl-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one.

Molecular Properties

Compound Name1-ethyl-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one
PubChem CID2908702
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name1-ethyl-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one
SMILESCCN1C(=O)C(O)(CC(=O)c2ccccc2O)c2ccccc21
InChIInChI=1S/C18H17NO4/c1-2-19-14-9-5-4-8-13(14)18(23,17(19)22)11-16(21)12-7-3-6-10-15(12)20/h3-10,20,23H,2,11H2,1H3
InChIKeyBWEUFNXCVHGOEF-UHFFFAOYSA-N
XLogP2.22
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate
CID 2898105
(3S)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 1162524
(3R)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 1162526
(3R)-1-ethyl-3-hydroxy-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]indol-2-one
CID 1425708
3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
CID 17088454
(3S)-1-ethyl-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]indol-2-one
CID 1322722
1-ethyl-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
CID 4271426
(3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one
CID 1162510
(3S)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
CID 1330472
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
CID 1330473
(3S)-3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
CID 1162506
3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[2-(2-methylphenoxy)ethyl]indol-2-one
CID 17131946

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one?
The IUPAC name of 1-ethyl-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one (CID 2908702) is 1-ethyl-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one.
What is the SMILES notation for 1-ethyl-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one?
The canonical SMILES for 1-ethyl-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one is CCN1C(=O)C(O)(CC(=O)c2ccccc2O)c2ccccc21.
What is the InChIKey of 1-ethyl-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one?
The InChIKey is BWEUFNXCVHGOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-2-19-14-9-5-4-8-13(14)18(23,17(19)22)11-16(21)12-7-3-6-10-15(12)20/h3-10,20,23H,2,11H2,1H3.
What are the key properties of 1-ethyl-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one?
1-ethyl-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one has a molecular weight of 311.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one is sourced from PubChem (CID 2908702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).