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

C27H25NO4 — CID 17131889

IUPAC3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one
SMILESCCOc1ccc(C(=O)CC2(O)C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C27H25NO4/c1-2-32-22-16-14-21(15-17-22)25(29)19-27(31)23-12-6-7-13-24(23)28(26(27)30)18-8-11-20-9-4-3-5-10-20/h3-17,31H,2,18-19H2,1H3/b11-8+
InChIKeyWBMBCEZNQIKZLH-DHZHZOJOSA-N
MW427.50 g/mol
LogP4.61
Rot. Bonds8

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

3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one (PubChem CID 17131889) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one.

Molecular Properties

Compound Name3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one
PubChem CID17131889
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC Name3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one
SMILESCCOc1ccc(C(=O)CC2(O)C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C27H25NO4/c1-2-32-22-16-14-21(15-17-22)25(29)19-27(31)23-12-6-7-13-24(23)28(26(27)30)18-8-11-20-9-4-3-5-10-20/h3-17,31H,2,18-19H2,1H3/b11-8+
InChIKeyWBMBCEZNQIKZLH-DHZHZOJOSA-N
XLogP4.61
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enyl]indol-2-one
CID 17131876
(3S)-3-hydroxy-3-phenacyl-1-[(Z)-3-phenylprop-2-enyl]indol-2-one
CID 98392744
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
CID 2914331
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2915280
(3R)-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one
CID 797964
(3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one
CID 1249734
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one
CID 3747127
1-[(2,6-dichlorophenyl)methyl]-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 17088446
3-[2-(4-tert-butyl-2,6-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one
CID 17131897
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one
CID 3150787
(3R)-1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 29445827
1-benzyl-5-chloro-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 3306555

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one?
The IUPAC name of 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one (CID 17131889) is 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one.
What is the SMILES notation for 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one?
The canonical SMILES for 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one is CCOc1ccc(C(=O)CC2(O)C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one?
The InChIKey is WBMBCEZNQIKZLH-DHZHZOJOSA-N. The full InChI is InChI=1S/C27H25NO4/c1-2-32-22-16-14-21(15-17-22)25(29)19-27(31)23-12-6-7-13-24(23)28(26(27)30)18-8-11-20-9-4-3-5-10-20/h3-17,31H,2,18-19H2,1H3/b11-8+.
What are the key properties of 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one?
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one has a molecular weight of 427.50 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one is sourced from PubChem (CID 17131889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).