1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone

C18H23NO3 — CID 110891953

IUPAC1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone
SMILESCCCn1c(C)cc(C(=O)COc2ccccc2CO)c1C
InChIInChI=1S/C18H23NO3/c1-4-9-19-13(2)10-16(14(19)3)17(21)12-22-18-8-6-5-7-15(18)11-20/h5-8,10,20H,4,9,11-12H2,1-3H3
InChIKeyKUASAGGPGHVEHG-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.27
Rot. Bonds7

About 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone

1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone (PubChem CID 110891953) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone
PubChem CID110891953
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone
SMILESCCCn1c(C)cc(C(=O)COc2ccccc2CO)c1C
InChIInChI=1S/C18H23NO3/c1-4-9-19-13(2)10-16(14(19)3)17(21)12-22-18-8-6-5-7-15(18)11-20/h5-8,10,20H,4,9,11-12H2,1-3H3
InChIKeyKUASAGGPGHVEHG-UHFFFAOYSA-N
XLogP3.27
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-[2-(hydroxymethyl)phenoxy]ethanone
CID 78880776
2-[2-(hydroxymethyl)phenoxy]-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 78880777
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 38909308
4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]-2,3-dihydroinden-1-one
CID 24578849
1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-naphthalen-1-yloxyethanone
CID 7850936
2-[2-(hydroxymethyl)phenoxy]-1-(2-methylphenyl)ethanone
CID 63654140
2-(4-acetylphenoxy)-1-(2,5-dimethyl-1-propylpyrrol-3-yl)ethanone
CID 112781190
1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylphenoxy)ethanone
CID 110656179
2-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethoxy]benzamide
CID 4791820
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573915
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 46567433
methyl 3-[3-[2-(2-cyanophenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate
CID 7560515

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone?
The IUPAC name of 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone (CID 110891953) is 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone?
The canonical SMILES for 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone is CCCn1c(C)cc(C(=O)COc2ccccc2CO)c1C.
What is the InChIKey of 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone?
The InChIKey is KUASAGGPGHVEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-4-9-19-13(2)10-16(14(19)3)17(21)12-22-18-8-6-5-7-15(18)11-20/h5-8,10,20H,4,9,11-12H2,1-3H3.
What are the key properties of 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone?
1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone has a molecular weight of 301.39 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone is sourced from PubChem (CID 110891953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).