3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one

C20H19NO4 — CID 3150787

IUPAC3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one
SMILESC=CCN1C(=O)C(O)(CC(=O)c2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C20H19NO4/c1-3-12-21-17-7-5-4-6-16(17)20(24,19(21)23)13-18(22)14-8-10-15(25-2)11-9-14/h3-11,24H,1,12-13H2,2H3
InChIKeyAXCRMKDHMONGHG-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.69
Rot. Bonds6

About 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one

3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one (PubChem CID 3150787) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one
PubChem CID3150787
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one
SMILESC=CCN1C(=O)C(O)(CC(=O)c2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C20H19NO4/c1-3-12-21-17-7-5-4-6-16(17)20(24,19(21)23)13-18(22)14-8-10-15(25-2)11-9-14/h3-11,24H,1,12-13H2,2H3
InChIKeyAXCRMKDHMONGHG-UHFFFAOYSA-N
XLogP2.69
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one
CID 4905991
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enyl]indol-2-one
CID 17131876
3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one
CID 2924926
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 2910365
(3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 95244773
3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one
CID 2924908
1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 17077705
3-hydroxy-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-1-prop-2-enylindol-2-one
CID 2957508
(3R)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(4-nitrophenyl)methyl]indol-2-one
CID 42588493
(3S)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(4-nitrophenyl)methyl]indol-2-one
CID 42588490
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
CID 2914331
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one
CID 17131889

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one?
The IUPAC name of 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one (CID 3150787) is 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one.
What is the SMILES notation for 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one?
The canonical SMILES for 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one is C=CCN1C(=O)C(O)(CC(=O)c2ccc(OC)cc2)c2ccccc21.
What is the InChIKey of 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one?
The InChIKey is AXCRMKDHMONGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-3-12-21-17-7-5-4-6-16(17)20(24,19(21)23)13-18(22)14-8-10-15(25-2)11-9-14/h3-11,24H,1,12-13H2,2H3.
What are the key properties of 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one?
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one has a molecular weight of 337.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one is sourced from PubChem (CID 3150787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).