2-(2,4-dimethylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone

C15H17NO2 — CID 43411926

IUPAC2-(2,4-dimethylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCc1ccc(OCC(=O)c2cccn2C)c(C)c1
InChIInChI=1S/C15H17NO2/c1-11-6-7-15(12(2)9-11)18-10-14(17)13-5-4-8-16(13)3/h4-9H,10H2,1-3H3
InChIKeyXNZLDJWMQYPUBL-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.90
Rot. Bonds4

About 2-(2,4-dimethylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone

2-(2,4-dimethylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 43411926) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID43411926
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-(2,4-dimethylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCc1ccc(OCC(=O)c2cccn2C)c(C)c1
InChIInChI=1S/C15H17NO2/c1-11-6-7-15(12(2)9-11)18-10-14(17)13-5-4-8-16(13)3/h4-9H,10H2,1-3H3
InChIKeyXNZLDJWMQYPUBL-UHFFFAOYSA-N
XLogP2.90
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 43412107
2-(4-bromo-2-chlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 60624990
2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411920
2-(2,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43411877
2-(5-bromo-2-fluorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 115918544
5-bromo-2-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzonitrile
CID 80602654
2-(3-ethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 55060707
(2,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone
CID 140996356
2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 43612483
2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone
CID 43612481
2-(3-acetylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 60626481
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-(2,4-dimethylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone (CID 43411926) is 2-(2,4-dimethylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone is Cc1ccc(OCC(=O)c2cccn2C)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is XNZLDJWMQYPUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-6-7-15(12(2)9-11)18-10-14(17)13-5-4-8-16(13)3/h4-9H,10H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone?
2-(2,4-dimethylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 243.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 43411926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).