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

C14H15NO2 — CID 43413142

IUPAC2-(2-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone
SMILESCc1ccccc1OCC(=O)c1ccn(C)c1
InChIInChI=1S/C14H15NO2/c1-11-5-3-4-6-14(11)17-10-13(16)12-7-8-15(2)9-12/h3-9H,10H2,1-2H3
InChIKeyGIUXLBVLUDWLFH-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.60
Rot. Bonds4

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

2-(2-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 43413142) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID43413142
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-(2-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone
SMILESCc1ccccc1OCC(=O)c1ccn(C)c1
InChIInChI=1S/C14H15NO2/c1-11-5-3-4-6-14(11)17-10-13(16)12-7-8-15(2)9-12/h3-9H,10H2,1-2H3
InChIKeyGIUXLBVLUDWLFH-UHFFFAOYSA-N
XLogP2.60
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-difluorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 55144573
2-(2-methyl-5-propan-2-ylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 60623581
1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone
CID 43218793
1-(3-aminophenyl)-2-(2-methylphenoxy)ethanone
CID 82117522
2-(2-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43413186
2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 139247581
2-(4-bromo-2-chloro-5-fluorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 114270934
4-[2-(1-methylpyrrol-3-yl)-2-oxoethoxy]benzonitrile
CID 31411184
sodium 2-(2-methylphenoxy)acetate
CID 23664336
lithium 2-(2-methylphenoxy)acetate
CID 19205696
2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612233
1-(1-methylpyrrol-3-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 60624057

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(2-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone (CID 43413142) is 2-(2-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(2-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(2-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone is Cc1ccccc1OCC(=O)c1ccn(C)c1.
What is the InChIKey of 2-(2-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is GIUXLBVLUDWLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-11-5-3-4-6-14(11)17-10-13(16)12-7-8-15(2)9-12/h3-9H,10H2,1-2H3.
What are the key properties of 2-(2-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone?
2-(2-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 229.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 43413142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).