4-(2-hydroxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol

C16H20N2O4 — CID 57270452

IUPAC4-(2-hydroxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol
SMILESO=Nc1ccc(C2(C(CO)CCOCCO)C=CC=N2)cc1
InChIInChI=1S/C16H20N2O4/c19-9-11-22-10-6-14(12-20)16(7-1-8-17-16)13-2-4-15(18-21)5-3-13/h1-5,7-8,14,19-20H,6,9-12H2
InChIKeyVEHOEYWIRMZTOF-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.93
Rot. Bonds9

About 4-(2-hydroxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol

4-(2-hydroxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol (PubChem CID 57270452) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol
PubChem CID57270452
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name4-(2-hydroxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol
SMILESO=Nc1ccc(C2(C(CO)CCOCCO)C=CC=N2)cc1
InChIInChI=1S/C16H20N2O4/c19-9-11-22-10-6-14(12-20)16(7-1-8-17-16)13-2-4-15(18-21)5-3-13/h1-5,7-8,14,19-20H,6,9-12H2
InChIKeyVEHOEYWIRMZTOF-UHFFFAOYSA-N
XLogP1.93
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Methylpyrrol-2-yl)-2-(4-nitrophenyl)ethanol
CID 56980083
4-(2-Hydroxyethoxy)-2-(2-phenylpyrrol-2-yl)butan-1-ol
CID 57137280
2-[2-[4-(4-Nitrophenyl)butan-2-yl]pyrrol-2-yl]ethanol
CID 57235032
4-(2-Methoxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol
CID 57270925
6-[2-(4-Nitrophenyl)pyrrol-2-yl]hexan-1-ol
CID 90756830

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol?
The IUPAC name of 4-(2-hydroxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol (CID 57270452) is 4-(2-hydroxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol.
What is the SMILES notation for 4-(2-hydroxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol?
The canonical SMILES for 4-(2-hydroxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol is O=Nc1ccc(C2(C(CO)CCOCCO)C=CC=N2)cc1.
What is the InChIKey of 4-(2-hydroxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol?
The InChIKey is VEHOEYWIRMZTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-9-11-22-10-6-14(12-20)16(7-1-8-17-16)13-2-4-15(18-21)5-3-13/h1-5,7-8,14,19-20H,6,9-12H2.
What are the key properties of 4-(2-hydroxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol?
4-(2-hydroxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol has a molecular weight of 304.35 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol is sourced from PubChem (CID 57270452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).