3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enyl]indol-2-one

C26H23NO4 — CID 17131876

IUPAC3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enyl]indol-2-one
SMILESCOc1ccc(C(=O)CC2(O)C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C26H23NO4/c1-31-21-15-13-20(14-16-21)24(28)18-26(30)22-11-5-6-12-23(22)27(25(26)29)17-7-10-19-8-3-2-4-9-19/h2-16,30H,17-18H2,1H3/b10-7+
InChIKeyZWIRLDJMVGUGJY-JXMROGBWSA-N
MW413.47 g/mol
LogP4.22
Rot. Bonds7

About 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enyl]indol-2-one

3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enyl]indol-2-one (PubChem CID 17131876) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enyl]indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enyl]indol-2-one
PubChem CID17131876
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enyl]indol-2-one
SMILESCOc1ccc(C(=O)CC2(O)C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C26H23NO4/c1-31-21-15-13-20(14-16-21)24(28)18-26(30)22-11-5-6-12-23(22)27(25(26)29)17-7-10-19-8-3-2-4-9-19/h2-16,30H,17-18H2,1H3/b10-7+
InChIKeyZWIRLDJMVGUGJY-JXMROGBWSA-N
XLogP4.22
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one
CID 17131889
(3S)-3-hydroxy-3-phenacyl-1-[(Z)-3-phenylprop-2-enyl]indol-2-one
CID 98392744
(3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one
CID 1249734
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one
CID 3150787
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 2910365
3-[2-(4-tert-butyl-2,6-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one
CID 17131897
(3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 95244773
1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 17077705
(3S)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(4-nitrophenyl)methyl]indol-2-one
CID 42588490
(3R)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(4-nitrophenyl)methyl]indol-2-one
CID 42588493
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
CID 2914331
5-chloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one
CID 4905991

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enyl]indol-2-one?
The IUPAC name of 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enyl]indol-2-one (CID 17131876) is 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enyl]indol-2-one.
What is the SMILES notation for 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enyl]indol-2-one?
The canonical SMILES for 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enyl]indol-2-one is COc1ccc(C(=O)CC2(O)C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enyl]indol-2-one?
The InChIKey is ZWIRLDJMVGUGJY-JXMROGBWSA-N. The full InChI is InChI=1S/C26H23NO4/c1-31-21-15-13-20(14-16-21)24(28)18-26(30)22-11-5-6-12-23(22)27(25(26)29)17-7-10-19-8-3-2-4-9-19/h2-16,30H,17-18H2,1H3/b10-7+.
What are the key properties of 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enyl]indol-2-one?
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enyl]indol-2-one has a molecular weight of 413.47 g/mol, XLogP of 4.22, 7 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-[(E)-3-phenylprop-2-enyl]indol-2-one is sourced from PubChem (CID 17131876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).