2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one

C7H10O6 — CID 86225797

IUPAC2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one
SMILESCOC1=C(O)C(=O)C(C(O)CO)O1
InChIInChI=1S/C7H10O6/c1-12-7-5(11)4(10)6(13-7)3(9)2-8/h3,6,8-9,11H,2H2,1H3
InChIKeyFCRRAMJOANGLHQ-UHFFFAOYSA-N
MW190.15 g/mol
LogP-1.32
Rot. Bonds3

About 2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one

2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one (PubChem CID 86225797) has the molecular formula C7H10O6 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one.

Molecular Properties

Compound Name2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one
PubChem CID86225797
Molecular FormulaC7H10O6
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Name2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one
SMILESCOC1=C(O)C(=O)C(C(O)CO)O1
InChIInChI=1S/C7H10O6/c1-12-7-5(11)4(10)6(13-7)3(9)2-8/h3,6,8-9,11H,2H2,1H3
InChIKeyFCRRAMJOANGLHQ-UHFFFAOYSA-N
XLogP-1.32
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one?
The IUPAC name of 2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one (CID 86225797) is 2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one.
What is the SMILES notation for 2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one?
The canonical SMILES for 2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one is COC1=C(O)C(=O)C(C(O)CO)O1.
What is the InChIKey of 2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one?
The InChIKey is FCRRAMJOANGLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O6/c1-12-7-5(11)4(10)6(13-7)3(9)2-8/h3,6,8-9,11H,2H2,1H3.
What are the key properties of 2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one?
2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one has a molecular weight of 190.15 g/mol, XLogP of -1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one is sourced from PubChem (CID 86225797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).