2-(4-methoxyphenyl)-5-methylindol-3-one

C16H13NO2 — CID 163409631

IUPAC2-(4-methoxyphenyl)-5-methylindol-3-one
SMILESCOc1ccc(C2=Nc3ccc(C)cc3C2=O)cc1
InChIInChI=1S/C16H13NO2/c1-10-3-8-14-13(9-10)16(18)15(17-14)11-4-6-12(19-2)7-5-11/h3-9H,1-2H3
InChIKeyGFTCQQDZFWGNEI-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.32
Rot. Bonds2

About 2-(4-methoxyphenyl)-5-methylindol-3-one

2-(4-methoxyphenyl)-5-methylindol-3-one (PubChem CID 163409631) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-methylindol-3-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-methylindol-3-one
PubChem CID163409631
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name2-(4-methoxyphenyl)-5-methylindol-3-one
SMILESCOc1ccc(C2=Nc3ccc(C)cc3C2=O)cc1
InChIInChI=1S/C16H13NO2/c1-10-3-8-14-13(9-10)16(18)15(17-14)11-4-6-12(19-2)7-5-11/h3-9H,1-2H3
InChIKeyGFTCQQDZFWGNEI-UHFFFAOYSA-N
XLogP3.32
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3E)-3-[(E)-but-2-enylidene]-2-(4-methoxyphenyl)-6-methylquinolin-4-one
CID 177441709
7-methoxy-2-(4-methoxyphenyl)-5-(4-methylphenyl)-3H-1,3,4-benzotriazepine
CID 135471828
2-(4-methoxyphenyl)-7-methyl-5-(4-nitrophenyl)-3H-1,3,4-benzotriazepine
CID 135425623
2-(3-hydroxy-5-methoxy-1H-indol-2-yl)-5-methoxyindol-3-one
CID 135404314
1-(113C)methoxy-4-methylbenzene
CID 166176950
2-methoxy-6-methylfluoren-9-one
CID 169198654
6-methoxypyrido[3,4-b]indol-1-one
CID 142042222
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
2-(4-methoxyphenyl)-6-methylnaphthalene
CID 15099897
7-(4-methoxyphenyl)-3-phenylisoindol-1-one
CID 141211329
(7S)-10-methoxy-2-methyl-6,7-diphenyl-7H-benzo[d][1]benzazepine
CID 132566743
2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene
CID 58556071

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-methylindol-3-one?
The IUPAC name of 2-(4-methoxyphenyl)-5-methylindol-3-one (CID 163409631) is 2-(4-methoxyphenyl)-5-methylindol-3-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-methylindol-3-one?
The canonical SMILES for 2-(4-methoxyphenyl)-5-methylindol-3-one is COc1ccc(C2=Nc3ccc(C)cc3C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-methylindol-3-one?
The InChIKey is GFTCQQDZFWGNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-10-3-8-14-13(9-10)16(18)15(17-14)11-4-6-12(19-2)7-5-11/h3-9H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-methylindol-3-one?
2-(4-methoxyphenyl)-5-methylindol-3-one has a molecular weight of 251.28 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-methylindol-3-one is sourced from PubChem (CID 163409631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).