2-(2,3-dimethoxyphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

C17H21NO4 — CID 110656095

IUPAC2-(2,3-dimethoxyphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCOc1cccc(OCC(=O)c2cc(C)n(C)c2C)c1OC
InChIInChI=1S/C17H21NO4/c1-11-9-13(12(2)18(11)3)14(19)10-22-16-8-6-7-15(20-4)17(16)21-5/h6-9H,10H2,1-5H3
InChIKeyPRFNCWCAKOTZBI-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.92
Rot. Bonds6

About 2-(2,3-dimethoxyphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-(2,3-dimethoxyphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 110656095) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID110656095
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name2-(2,3-dimethoxyphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCOc1cccc(OCC(=O)c2cc(C)n(C)c2C)c1OC
InChIInChI=1S/C17H21NO4/c1-11-9-13(12(2)18(11)3)14(19)10-22-16-8-6-7-15(20-4)17(16)21-5/h6-9H,10H2,1-5H3
InChIKeyPRFNCWCAKOTZBI-UHFFFAOYSA-N
XLogP2.92
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dimethoxyphenoxy)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
CID 110656323
2-(2,3-dimethoxyphenoxy)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 110656344
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenoxy)acetate
CID 8913200
2-(2,3-difluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 63037476
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-hydroxy-3-methoxybenzoate
CID 18076092
2-(5-fluoro-2-methylphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 102975495
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate
CID 7599857
2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 43799554
1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-naphthalen-1-yloxyethanone
CID 7850936
N-benzyl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide
CID 17411419
2-(5-chloroquinolin-8-yl)oxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 8716327
2-[4-(hydroxymethyl)phenoxy]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 60623742

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(2,3-dimethoxyphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 110656095) is 2-(2,3-dimethoxyphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(2,3-dimethoxyphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(2,3-dimethoxyphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is COc1cccc(OCC(=O)c2cc(C)n(C)c2C)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is PRFNCWCAKOTZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-11-9-13(12(2)18(11)3)14(19)10-22-16-8-6-7-15(20-4)17(16)21-5/h6-9H,10H2,1-5H3.
What are the key properties of 2-(2,3-dimethoxyphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
2-(2,3-dimethoxyphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 303.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 110656095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).