2-(3-ethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone

C15H17NO3 — CID 55060707

IUPAC2-(3-ethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCCOc1cccc(OCC(=O)c2cccn2C)c1
InChIInChI=1S/C15H17NO3/c1-3-18-12-6-4-7-13(10-12)19-11-15(17)14-8-5-9-16(14)2/h4-10H,3,11H2,1-2H3
InChIKeyINKIXFDIKLBELQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.69
Rot. Bonds6

About 2-(3-ethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone

2-(3-ethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 55060707) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(3-ethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-ethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID55060707
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-(3-ethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCCOc1cccc(OCC(=O)c2cccn2C)c1
InChIInChI=1S/C15H17NO3/c1-3-18-12-6-4-7-13(10-12)19-11-15(17)14-8-5-9-16(14)2/h4-10H,3,11H2,1-2H3
InChIKeyINKIXFDIKLBELQ-UHFFFAOYSA-N
XLogP2.69
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 60626481
1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62337475
2-(3-ethoxyphenoxy)-1-(4-ethylphenyl)ethanone
CID 62338272
1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62338468
2-(3-ethoxyphenoxy)-N-methylacetohydrazide
CID 116820503
2-(5-bromo-2-fluorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 115918544
2-(4-bromo-2-chlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 60624990
1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62335593
1-(1-methylpyrrol-2-yl)-2-prop-2-enoxyethanone
CID 62029483
2-fluoro-6-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzamide
CID 62033820
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-ethoxyphenoxy)ethanone
CID 110656317
2-(3-methylphenoxy)ethyl 1-methylpyrrole-2-carboxylate
CID 55307618

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-(3-ethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone (CID 55060707) is 2-(3-ethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(3-ethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-(3-ethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone is CCOc1cccc(OCC(=O)c2cccn2C)c1.
What is the InChIKey of 2-(3-ethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is INKIXFDIKLBELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-18-12-6-4-7-13(10-12)19-11-15(17)14-8-5-9-16(14)2/h4-10H,3,11H2,1-2H3.
What are the key properties of 2-(3-ethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone?
2-(3-ethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 259.31 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 55060707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).