1-(2-ethoxyethyl)-3,4-diphenylpyrrole-2,5-diol

C20H21NO3 — CID 90753025

IUPAC1-(2-ethoxyethyl)-3,4-diphenylpyrrole-2,5-diol
SMILESCCOCCn1c(O)c(-c2ccccc2)c(-c2ccccc2)c1O
InChIInChI=1S/C20H21NO3/c1-2-24-14-13-21-19(22)17(15-9-5-3-6-10-15)18(20(21)23)16-11-7-4-8-12-16/h3-12,22-23H,2,13-14H2,1H3
InChIKeyGFHNWIWTBIMAAX-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.27
Rot. Bonds6

About 1-(2-ethoxyethyl)-3,4-diphenylpyrrole-2,5-diol

1-(2-ethoxyethyl)-3,4-diphenylpyrrole-2,5-diol (PubChem CID 90753025) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3,4-diphenylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3,4-diphenylpyrrole-2,5-diol
PubChem CID90753025
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name1-(2-ethoxyethyl)-3,4-diphenylpyrrole-2,5-diol
SMILESCCOCCn1c(O)c(-c2ccccc2)c(-c2ccccc2)c1O
InChIInChI=1S/C20H21NO3/c1-2-24-14-13-21-19(22)17(15-9-5-3-6-10-15)18(20(21)23)16-11-7-4-8-12-16/h3-12,22-23H,2,13-14H2,1H3
InChIKeyGFHNWIWTBIMAAX-UHFFFAOYSA-N
XLogP4.27
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3Z)-1-Methyl-5-phenyl-3-[(phenylamino)methylidene]-2,3-dihydro-1H-pyrrol-2-one
CID 768812
1-Methyl-3-phenylpyrrole-2,5-diol
CID 53881854
2-[4-[4-[(4-Fluorophenyl)-methoxymethyl]piperidin-1-yl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 54030180
2-[4-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 54291137
3-Benzyl-6-(3,5-difluorophenyl)-6-ethyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol
CID 90940123
2-(2-Fluoro-1-phenylethyl)isoindole-1,3-diol
CID 123886213
1-Benzyl-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)pyrrol-2-ol
CID 168869295
2-Benzyl-5-morpholin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 90819147
2-Methyl-2H-isoindole-1,3-diol
CID 11480341
1-Methyl-4,5-diphenylpyrrol-2-ol
CID 20512182
2-[4-(4-Benzylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53659326
4-(3-Methyl-1-phenylbut-3-en-2-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 53672297

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3,4-diphenylpyrrole-2,5-diol?
The IUPAC name of 1-(2-ethoxyethyl)-3,4-diphenylpyrrole-2,5-diol (CID 90753025) is 1-(2-ethoxyethyl)-3,4-diphenylpyrrole-2,5-diol.
What is the SMILES notation for 1-(2-ethoxyethyl)-3,4-diphenylpyrrole-2,5-diol?
The canonical SMILES for 1-(2-ethoxyethyl)-3,4-diphenylpyrrole-2,5-diol is CCOCCn1c(O)c(-c2ccccc2)c(-c2ccccc2)c1O.
What is the InChIKey of 1-(2-ethoxyethyl)-3,4-diphenylpyrrole-2,5-diol?
The InChIKey is GFHNWIWTBIMAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-2-24-14-13-21-19(22)17(15-9-5-3-6-10-15)18(20(21)23)16-11-7-4-8-12-16/h3-12,22-23H,2,13-14H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)-3,4-diphenylpyrrole-2,5-diol?
1-(2-ethoxyethyl)-3,4-diphenylpyrrole-2,5-diol has a molecular weight of 323.39 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3,4-diphenylpyrrole-2,5-diol is sourced from PubChem (CID 90753025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).