[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methanol

C9H12O4 — CID 177277169

IUPAC[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methanol
SMILESOCc1ccc(COCC2CO2)o1
InChIInChI=1S/C9H12O4/c10-3-7-1-2-8(13-7)4-11-5-9-6-12-9/h1-2,9-10H,3-6H2
InChIKeyBKYPMKRIAPSWAV-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.69
Rot. Bonds5

About [5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methanol

[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methanol (PubChem CID 177277169) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is [5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methanol
PubChem CID177277169
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methanol
SMILESOCc1ccc(COCC2CO2)o1
InChIInChI=1S/C9H12O4/c10-3-7-1-2-8(13-7)4-11-5-9-6-12-9/h1-2,9-10H,3-6H2
InChIKeyBKYPMKRIAPSWAV-UHFFFAOYSA-N
XLogP0.69
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methanol?
The IUPAC name of [5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methanol (CID 177277169) is [5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methanol.
What is the SMILES notation for [5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methanol?
The canonical SMILES for [5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methanol is OCc1ccc(COCC2CO2)o1.
What is the InChIKey of [5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methanol?
The InChIKey is BKYPMKRIAPSWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c10-3-7-1-2-8(13-7)4-11-5-9-6-12-9/h1-2,9-10H,3-6H2.
What are the key properties of [5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methanol?
[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methanol has a molecular weight of 184.19 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methanol is sourced from PubChem (CID 177277169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).