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

C17H22N2O4 — CID 57270925

IUPAC4-(2-methoxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol
SMILESCOCCOCCC(CO)C1(c2ccc(N=O)cc2)C=CC=N1
InChIInChI=1S/C17H22N2O4/c1-22-11-12-23-10-7-15(13-20)17(8-2-9-18-17)14-3-5-16(19-21)6-4-14/h2-6,8-9,15,20H,7,10-13H2,1H3
InChIKeyYZJSXDSRZMBTTI-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.58
Rot. Bonds10

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

4-(2-methoxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol (PubChem CID 57270925) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol
PubChem CID57270925
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name4-(2-methoxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol
SMILESCOCCOCCC(CO)C1(c2ccc(N=O)cc2)C=CC=N1
InChIInChI=1S/C17H22N2O4/c1-22-11-12-23-10-7-15(13-20)17(8-2-9-18-17)14-3-5-16(19-21)6-4-14/h2-6,8-9,15,20H,7,10-13H2,1H3
InChIKeyYZJSXDSRZMBTTI-UHFFFAOYSA-N
XLogP2.58
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(2-methoxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol?
The IUPAC name of 4-(2-methoxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol (CID 57270925) is 4-(2-methoxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol.
What is the SMILES notation for 4-(2-methoxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol?
The canonical SMILES for 4-(2-methoxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol is COCCOCCC(CO)C1(c2ccc(N=O)cc2)C=CC=N1.
What is the InChIKey of 4-(2-methoxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol?
The InChIKey is YZJSXDSRZMBTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-22-11-12-23-10-7-15(13-20)17(8-2-9-18-17)14-3-5-16(19-21)6-4-14/h2-6,8-9,15,20H,7,10-13H2,1H3.
What are the key properties of 4-(2-methoxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol?
4-(2-methoxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol has a molecular weight of 318.37 g/mol, XLogP of 2.58, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-2-[2-(4-nitrosophenyl)pyrrol-2-yl]butan-1-ol is sourced from PubChem (CID 57270925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).