3-(2-hydroxyethyl)-4-methoxy-2H-furan-5-one

C7H10O4 — CID 14105176

IUPAC3-(2-hydroxyethyl)-4-methoxy-2H-furan-5-one
SMILESCOC1=C(CCO)COC1=O
InChIInChI=1S/C7H10O4/c1-10-6-5(2-3-8)4-11-7(6)9/h8H,2-4H2,1H3
InChIKeyYCUZQUDCEWEFGM-UHFFFAOYSA-N
MW158.15 g/mol
LogP-0.17
Rot. Bonds3

About 3-(2-hydroxyethyl)-4-methoxy-2H-furan-5-one

3-(2-hydroxyethyl)-4-methoxy-2H-furan-5-one (PubChem CID 14105176) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-4-methoxy-2H-furan-5-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-4-methoxy-2H-furan-5-one
PubChem CID14105176
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name3-(2-hydroxyethyl)-4-methoxy-2H-furan-5-one
SMILESCOC1=C(CCO)COC1=O
InChIInChI=1S/C7H10O4/c1-10-6-5(2-3-8)4-11-7(6)9/h8H,2-4H2,1H3
InChIKeyYCUZQUDCEWEFGM-UHFFFAOYSA-N
XLogP-0.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-hydroxyethyl)-4-methoxy-2H-furan-5-one with MolForge

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

Launch Full Analysis

Related Compounds

CID 150736
CID 150736
CID 54694369
CID 54694369
CID 315264
CID 315264
CID 3614716
CID 3614716
CID 6995625
CID 6995625
CID 11805516
CID 11805516
CID 22105235
CID 22105235
CID 54726398
CID 54726398
CID 44292339
CID 44292339
CID 44292425
CID 44292425
CID 54735456
CID 54735456
CID 54735460
CID 54735460

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-4-methoxy-2H-furan-5-one?
The IUPAC name of 3-(2-hydroxyethyl)-4-methoxy-2H-furan-5-one (CID 14105176) is 3-(2-hydroxyethyl)-4-methoxy-2H-furan-5-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-4-methoxy-2H-furan-5-one?
The canonical SMILES for 3-(2-hydroxyethyl)-4-methoxy-2H-furan-5-one is COC1=C(CCO)COC1=O.
What is the InChIKey of 3-(2-hydroxyethyl)-4-methoxy-2H-furan-5-one?
The InChIKey is YCUZQUDCEWEFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-10-6-5(2-3-8)4-11-7(6)9/h8H,2-4H2,1H3.
What are the key properties of 3-(2-hydroxyethyl)-4-methoxy-2H-furan-5-one?
3-(2-hydroxyethyl)-4-methoxy-2H-furan-5-one has a molecular weight of 158.15 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-4-methoxy-2H-furan-5-one is sourced from PubChem (CID 14105176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).