1-[5-methoxy-2-methyl-1-(2-phenylethyl)indol-3-yl]ethanone

C20H21NO2 — CID 762484

IUPAC1-[5-methoxy-2-methyl-1-(2-phenylethyl)indol-3-yl]ethanone
SMILESCOc1ccc2c(c1)c(C(C)=O)c(C)n2CCc1ccccc1
InChIInChI=1S/C20H21NO2/c1-14-20(15(2)22)18-13-17(23-3)9-10-19(18)21(14)12-11-16-7-5-4-6-8-16/h4-10,13H,11-12H2,1-3H3
InChIKeyFYAMUYKQZCXSLH-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.40
Rot. Bonds5

About 1-[5-methoxy-2-methyl-1-(2-phenylethyl)indol-3-yl]ethanone

1-[5-methoxy-2-methyl-1-(2-phenylethyl)indol-3-yl]ethanone (PubChem CID 762484) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[5-methoxy-2-methyl-1-(2-phenylethyl)indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-methoxy-2-methyl-1-(2-phenylethyl)indol-3-yl]ethanone
PubChem CID762484
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name1-[5-methoxy-2-methyl-1-(2-phenylethyl)indol-3-yl]ethanone
SMILESCOc1ccc2c(c1)c(C(C)=O)c(C)n2CCc1ccccc1
InChIInChI=1S/C20H21NO2/c1-14-20(15(2)22)18-13-17(23-3)9-10-19(18)21(14)12-11-16-7-5-4-6-8-16/h4-10,13H,11-12H2,1-3H3
InChIKeyFYAMUYKQZCXSLH-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-2-methyl-1-(2-phenylethyl)indol-3-yl]ethanone?
The IUPAC name of 1-[5-methoxy-2-methyl-1-(2-phenylethyl)indol-3-yl]ethanone (CID 762484) is 1-[5-methoxy-2-methyl-1-(2-phenylethyl)indol-3-yl]ethanone.
What is the SMILES notation for 1-[5-methoxy-2-methyl-1-(2-phenylethyl)indol-3-yl]ethanone?
The canonical SMILES for 1-[5-methoxy-2-methyl-1-(2-phenylethyl)indol-3-yl]ethanone is COc1ccc2c(c1)c(C(C)=O)c(C)n2CCc1ccccc1.
What is the InChIKey of 1-[5-methoxy-2-methyl-1-(2-phenylethyl)indol-3-yl]ethanone?
The InChIKey is FYAMUYKQZCXSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-14-20(15(2)22)18-13-17(23-3)9-10-19(18)21(14)12-11-16-7-5-4-6-8-16/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 1-[5-methoxy-2-methyl-1-(2-phenylethyl)indol-3-yl]ethanone?
1-[5-methoxy-2-methyl-1-(2-phenylethyl)indol-3-yl]ethanone has a molecular weight of 307.39 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-2-methyl-1-(2-phenylethyl)indol-3-yl]ethanone is sourced from PubChem (CID 762484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).