3-hydroxy-5-methoxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one

C21H17NO4 — CID 2976940

IUPAC3-hydroxy-5-methoxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one
SMILESCOc1ccc2c(c1)C(O)(CC(=O)c1ccc3ccccc3c1)C(=O)N2
InChIInChI=1S/C21H17NO4/c1-26-16-8-9-18-17(11-16)21(25,20(24)22-18)12-19(23)15-7-6-13-4-2-3-5-14(13)10-15/h2-11,25H,12H2,1H3,(H,22,24)
InChIKeySDHRYEAEXPPOMK-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.26
Rot. Bonds4

About 3-hydroxy-5-methoxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one

3-hydroxy-5-methoxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one (PubChem CID 2976940) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-hydroxy-5-methoxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-5-methoxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one
PubChem CID2976940
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name3-hydroxy-5-methoxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one
SMILESCOc1ccc2c(c1)C(O)(CC(=O)c1ccc3ccccc3c1)C(=O)N2
InChIInChI=1S/C21H17NO4/c1-26-16-8-9-18-17(11-16)21(25,20(24)22-18)12-19(23)15-7-6-13-4-2-3-5-14(13)10-15/h2-11,25H,12H2,1H3,(H,22,24)
InChIKeySDHRYEAEXPPOMK-UHFFFAOYSA-N
XLogP3.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
CID 3699611
(3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425949
(3S)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxy-5-methoxy-1H-indol-2-one
CID 1425954
(3R)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one
CID 957709
(3R)-3-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 39890045
(3S)-5-chloro-3-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 39352069
(3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one
CID 92726677
(3R)-4,6-dichloro-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one
CID 7559976
(3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one
CID 682358
(3S)-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 806524
5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one
CID 2944765
(3R)-5-bromo-3-hydroxy-3-phenacyl-1H-indol-2-one
CID 785764

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methoxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-5-methoxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one (CID 2976940) is 3-hydroxy-5-methoxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-5-methoxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-5-methoxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one is COc1ccc2c(c1)C(O)(CC(=O)c1ccc3ccccc3c1)C(=O)N2.
What is the InChIKey of 3-hydroxy-5-methoxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one?
The InChIKey is SDHRYEAEXPPOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c1-26-16-8-9-18-17(11-16)21(25,20(24)22-18)12-19(23)15-7-6-13-4-2-3-5-14(13)10-15/h2-11,25H,12H2,1H3,(H,22,24).
What are the key properties of 3-hydroxy-5-methoxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one?
3-hydroxy-5-methoxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one has a molecular weight of 347.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methoxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one is sourced from PubChem (CID 2976940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).