1-(2-methyl-1-phenyl-5-propoxyindol-3-yl)ethanone

C20H21NO2 — CID 46891660

IUPAC1-(2-methyl-1-phenyl-5-propoxyindol-3-yl)ethanone
SMILESCCCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1
InChIInChI=1S/C20H21NO2/c1-4-12-23-17-10-11-19-18(13-17)20(15(3)22)14(2)21(19)16-8-6-5-7-9-16/h5-11,13H,4,12H2,1-3H3
InChIKeyONGORAHLJZTEAA-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.93
Rot. Bonds5

About 1-(2-methyl-1-phenyl-5-propoxyindol-3-yl)ethanone

1-(2-methyl-1-phenyl-5-propoxyindol-3-yl)ethanone (PubChem CID 46891660) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-(2-methyl-1-phenyl-5-propoxyindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-1-phenyl-5-propoxyindol-3-yl)ethanone
PubChem CID46891660
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name1-(2-methyl-1-phenyl-5-propoxyindol-3-yl)ethanone
SMILESCCCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1
InChIInChI=1S/C20H21NO2/c1-4-12-23-17-10-11-19-18(13-17)20(15(3)22)14(2)21(19)16-8-6-5-7-9-16/h5-11,13H,4,12H2,1-3H3
InChIKeyONGORAHLJZTEAA-UHFFFAOYSA-N
XLogP4.93
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1-phenyl-5-propan-2-yloxyindol-3-yl)ethanone
CID 46891659
1-[5-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-2-methyl-1-phenylindol-3-yl]ethanone
CID 2279297
ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate
CID 2076757
1-[2-methyl-1-(4-methylphenyl)-5-prop-2-enoxyindol-3-yl]ethanone
CID 10403677
1-[5-(2-hydroxy-3-morpholin-4-ylpropoxy)-2-methyl-1-phenylindol-3-yl]ethanone
CID 645048
2-[3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide
CID 10432787
1-[[2-[3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxyacetyl]amino]-3-phenylthiourea
CID 10005646
2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide
CID 10321292
[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] acetate
CID 711025
1-[5-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone
CID 10026869
ethyl 2-methyl-5-(2-methylbenzoyl)oxy-1-phenylindole-3-carboxylate
CID 3931042
ethyl 5-[2-(dimethylamino)ethoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate
CID 23768342

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-phenyl-5-propoxyindol-3-yl)ethanone?
The IUPAC name of 1-(2-methyl-1-phenyl-5-propoxyindol-3-yl)ethanone (CID 46891660) is 1-(2-methyl-1-phenyl-5-propoxyindol-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-1-phenyl-5-propoxyindol-3-yl)ethanone?
The canonical SMILES for 1-(2-methyl-1-phenyl-5-propoxyindol-3-yl)ethanone is CCCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1.
What is the InChIKey of 1-(2-methyl-1-phenyl-5-propoxyindol-3-yl)ethanone?
The InChIKey is ONGORAHLJZTEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-4-12-23-17-10-11-19-18(13-17)20(15(3)22)14(2)21(19)16-8-6-5-7-9-16/h5-11,13H,4,12H2,1-3H3.
What are the key properties of 1-(2-methyl-1-phenyl-5-propoxyindol-3-yl)ethanone?
1-(2-methyl-1-phenyl-5-propoxyindol-3-yl)ethanone has a molecular weight of 307.39 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-phenyl-5-propoxyindol-3-yl)ethanone is sourced from PubChem (CID 46891660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).