5-methoxy-3-methyl-3-(4-methylphenyl)-1H-indol-2-one

C17H17NO2 — CID 126472533

IUPAC5-methoxy-3-methyl-3-(4-methylphenyl)-1H-indol-2-one
SMILESCOc1ccc2c(c1)C(C)(c1ccc(C)cc1)C(=O)N2
InChIInChI=1S/C17H17NO2/c1-11-4-6-12(7-5-11)17(2)14-10-13(20-3)8-9-15(14)18-16(17)19/h4-10H,1-3H3,(H,18,19)
InChIKeyINKWCGKYAUCAFE-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.26
Rot. Bonds2

About 5-methoxy-3-methyl-3-(4-methylphenyl)-1H-indol-2-one

5-methoxy-3-methyl-3-(4-methylphenyl)-1H-indol-2-one (PubChem CID 126472533) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-methoxy-3-methyl-3-(4-methylphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name5-methoxy-3-methyl-3-(4-methylphenyl)-1H-indol-2-one
PubChem CID126472533
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name5-methoxy-3-methyl-3-(4-methylphenyl)-1H-indol-2-one
SMILESCOc1ccc2c(c1)C(C)(c1ccc(C)cc1)C(=O)N2
InChIInChI=1S/C17H17NO2/c1-11-4-6-12(7-5-11)17(2)14-10-13(20-3)8-9-15(14)18-16(17)19/h4-10H,1-3H3,(H,18,19)
InChIKeyINKWCGKYAUCAFE-UHFFFAOYSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one
CID 102419415
5-methoxy-3,3-bis(4-sulfanyloxyphenyl)-1H-indol-2-one
CID 57033587
(3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425949
3-(4-chlorophenyl)-3-ethyl-5-methoxy-1H-indol-2-one
CID 126473327
3-chloro-5-methoxy-3-methylsulfanyl-1H-indol-2-one
CID 24974230
(3R)-5-methoxy-1'-(4-methylphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103783
5-methoxy-5'-(4-methoxyphenyl)spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
CID 24754174
(3S)-5-methoxy-1'-(4-methylbenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103698
5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 15043286
(3S)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 99728181
6-methoxy-1-(4-methylphenyl)-2,3-dihydroinden-1-ol
CID 79373998
5'-(4-chlorophenyl)-5-methoxyspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
CID 155223867

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-3-(4-methylphenyl)-1H-indol-2-one?
The IUPAC name of 5-methoxy-3-methyl-3-(4-methylphenyl)-1H-indol-2-one (CID 126472533) is 5-methoxy-3-methyl-3-(4-methylphenyl)-1H-indol-2-one.
What is the SMILES notation for 5-methoxy-3-methyl-3-(4-methylphenyl)-1H-indol-2-one?
The canonical SMILES for 5-methoxy-3-methyl-3-(4-methylphenyl)-1H-indol-2-one is COc1ccc2c(c1)C(C)(c1ccc(C)cc1)C(=O)N2.
What is the InChIKey of 5-methoxy-3-methyl-3-(4-methylphenyl)-1H-indol-2-one?
The InChIKey is INKWCGKYAUCAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11-4-6-12(7-5-11)17(2)14-10-13(20-3)8-9-15(14)18-16(17)19/h4-10H,1-3H3,(H,18,19).
What are the key properties of 5-methoxy-3-methyl-3-(4-methylphenyl)-1H-indol-2-one?
5-methoxy-3-methyl-3-(4-methylphenyl)-1H-indol-2-one has a molecular weight of 267.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-3-(4-methylphenyl)-1H-indol-2-one is sourced from PubChem (CID 126472533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).