2-(3-methoxyphenyl)-1-(1-methylindol-3-yl)ethanone

C18H17NO2 — CID 43340241

IUPAC2-(3-methoxyphenyl)-1-(1-methylindol-3-yl)ethanone
SMILESCOc1cccc(CC(=O)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C18H17NO2/c1-19-12-16(15-8-3-4-9-17(15)19)18(20)11-13-6-5-7-14(10-13)21-2/h3-10,12H,11H2,1-2H3
InChIKeyOKEBUGAWGHQZTB-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.61
Rot. Bonds4

About 2-(3-methoxyphenyl)-1-(1-methylindol-3-yl)ethanone

2-(3-methoxyphenyl)-1-(1-methylindol-3-yl)ethanone (PubChem CID 43340241) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-(1-methylindol-3-yl)ethanone
PubChem CID43340241
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-(3-methoxyphenyl)-1-(1-methylindol-3-yl)ethanone
SMILESCOc1cccc(CC(=O)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C18H17NO2/c1-19-12-16(15-8-3-4-9-17(15)19)18(20)11-13-6-5-7-14(10-13)21-2/h3-10,12H,11H2,1-2H3
InChIKeyOKEBUGAWGHQZTB-UHFFFAOYSA-N
XLogP3.61
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-(1-methylindol-3-yl)ethanone
CID 43340234
1-(1-methylindol-3-yl)-2-pyridin-3-ylethanone
CID 86729069
2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone
CID 63490619
3-methoxy-1-(1-methylindol-3-yl)propan-1-one
CID 174243239
1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 121242102
2-(3-methoxyphenyl)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 20933053
2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone
CID 79217516
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 61079528
1-(2-bromo-5-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 81110990
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43161531

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-(1-methylindol-3-yl)ethanone?
The IUPAC name of 2-(3-methoxyphenyl)-1-(1-methylindol-3-yl)ethanone (CID 43340241) is 2-(3-methoxyphenyl)-1-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-(1-methylindol-3-yl)ethanone is COc1cccc(CC(=O)c2cn(C)c3ccccc23)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-(1-methylindol-3-yl)ethanone?
The InChIKey is OKEBUGAWGHQZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-19-12-16(15-8-3-4-9-17(15)19)18(20)11-13-6-5-7-14(10-13)21-2/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-1-(1-methylindol-3-yl)ethanone?
2-(3-methoxyphenyl)-1-(1-methylindol-3-yl)ethanone has a molecular weight of 279.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 43340241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).