[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanol

C12H21NO4 — CID 113427301

IUPAC[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanol
SMILESCOCCOCCOCCn1ccc(CO)c1
InChIInChI=1S/C12H21NO4/c1-15-6-7-17-9-8-16-5-4-13-3-2-12(10-13)11-14/h2-3,10,14H,4-9,11H2,1H3
InChIKeyFEPBHSVFEZDKSI-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.66
Rot. Bonds10

About [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanol

[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanol (PubChem CID 113427301) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanol
PubChem CID113427301
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanol
SMILESCOCCOCCOCCn1ccc(CO)c1
InChIInChI=1S/C12H21NO4/c1-15-6-7-17-9-8-16-5-4-13-3-2-12(10-13)11-14/h2-3,10,14H,4-9,11H2,1H3
InChIKeyFEPBHSVFEZDKSI-UHFFFAOYSA-N
XLogP0.66
TPSA52.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanol 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 [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanol?
The IUPAC name of [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanol (CID 113427301) is [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanol.
What is the SMILES notation for [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanol?
The canonical SMILES for [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanol is COCCOCCOCCn1ccc(CO)c1.
What is the InChIKey of [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanol?
The InChIKey is FEPBHSVFEZDKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-15-6-7-17-9-8-16-5-4-13-3-2-12(10-13)11-14/h2-3,10,14H,4-9,11H2,1H3.
What are the key properties of [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanol?
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanol has a molecular weight of 243.30 g/mol, XLogP of 0.66, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanol is sourced from PubChem (CID 113427301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).