1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone

C19H19NO2 — CID 117098447

IUPAC1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCOc2cccc(C)c2)c2ccccc12
InChIInChI=1S/C19H19NO2/c1-14-6-5-7-16(12-14)22-11-10-20-13-18(15(2)21)17-8-3-4-9-19(17)20/h3-9,12-13H,10-11H2,1-2H3
InChIKeyHEOQVBZOMZFZIX-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.23
Rot. Bonds5

About 1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone

1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone (PubChem CID 117098447) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone
PubChem CID117098447
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCOc2cccc(C)c2)c2ccccc12
InChIInChI=1S/C19H19NO2/c1-14-6-5-7-16(12-14)22-11-10-20-13-18(15(2)21)17-8-3-4-9-19(17)20/h3-9,12-13H,10-11H2,1-2H3
InChIKeyHEOQVBZOMZFZIX-UHFFFAOYSA-N
XLogP4.23
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one
CID 955267
2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone
CID 3393871
4-[[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 1214195
[1-(2-phenoxyethyl)indol-3-yl]-thiophen-2-ylmethanone
CID 965825
1-benzyl-3-[[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]methylideneamino]thiourea
CID 5019374
1-[3-(2,5-dimethylphenoxy)propyl]indole-3-carboxylic acid
CID 22332903
tert-butyl 2-(3-acetylindol-1-yl)acetate
CID 118322378
1-(2-propan-2-yloxyethyl)indole-3-carboxylic acid
CID 54957599
1-[2-(4-chloro-3-methylphenoxy)ethyl]-N'-hydroxyindole-3-carboximidamide
CID 11957184
[1-(2-phenoxyethyl)indol-3-yl]-pyrrolidin-1-ylmethanethione
CID 1324805
cyclopropyl-[1-[3-(4-methylphenoxy)propyl]indol-3-yl]methanone
CID 5043390
2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one
CID 3965058

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone?
The IUPAC name of 1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone (CID 117098447) is 1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone is CC(=O)c1cn(CCOc2cccc(C)c2)c2ccccc12.
What is the InChIKey of 1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone?
The InChIKey is HEOQVBZOMZFZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-14-6-5-7-16(12-14)22-11-10-20-13-18(15(2)21)17-8-3-4-9-19(17)20/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone?
1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone has a molecular weight of 293.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone is sourced from PubChem (CID 117098447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).