6-(2,3-dihydroxybutan-2-yl)-4-methoxypyran-2-one

C10H14O5 — CID 52920586

IUPAC6-(2,3-dihydroxybutan-2-yl)-4-methoxypyran-2-one
SMILESCOc1cc(C(C)(O)C(C)O)oc(=O)c1
InChIInChI=1S/C10H14O5/c1-6(11)10(2,13)8-4-7(14-3)5-9(12)15-8/h4-6,11,13H,1-3H3
InChIKeySGJAGMWFELNOAM-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.24
Rot. Bonds3

About 6-(2,3-dihydroxybutan-2-yl)-4-methoxypyran-2-one

6-(2,3-dihydroxybutan-2-yl)-4-methoxypyran-2-one (PubChem CID 52920586) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-(2,3-dihydroxybutan-2-yl)-4-methoxypyran-2-one.

Molecular Properties

Compound Name6-(2,3-dihydroxybutan-2-yl)-4-methoxypyran-2-one
PubChem CID52920586
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name6-(2,3-dihydroxybutan-2-yl)-4-methoxypyran-2-one
SMILESCOc1cc(C(C)(O)C(C)O)oc(=O)c1
InChIInChI=1S/C10H14O5/c1-6(11)10(2,13)8-4-7(14-3)5-9(12)15-8/h4-6,11,13H,1-3H3
InChIKeySGJAGMWFELNOAM-UHFFFAOYSA-N
XLogP0.24
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2,3-dihydroxybutan-2-yl)-4-methoxypyran-2-one 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 6-(2,3-dihydroxybutan-2-yl)-4-methoxypyran-2-one?
The IUPAC name of 6-(2,3-dihydroxybutan-2-yl)-4-methoxypyran-2-one (CID 52920586) is 6-(2,3-dihydroxybutan-2-yl)-4-methoxypyran-2-one.
What is the SMILES notation for 6-(2,3-dihydroxybutan-2-yl)-4-methoxypyran-2-one?
The canonical SMILES for 6-(2,3-dihydroxybutan-2-yl)-4-methoxypyran-2-one is COc1cc(C(C)(O)C(C)O)oc(=O)c1.
What is the InChIKey of 6-(2,3-dihydroxybutan-2-yl)-4-methoxypyran-2-one?
The InChIKey is SGJAGMWFELNOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-6(11)10(2,13)8-4-7(14-3)5-9(12)15-8/h4-6,11,13H,1-3H3.
What are the key properties of 6-(2,3-dihydroxybutan-2-yl)-4-methoxypyran-2-one?
6-(2,3-dihydroxybutan-2-yl)-4-methoxypyran-2-one has a molecular weight of 214.22 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroxybutan-2-yl)-4-methoxypyran-2-one is sourced from PubChem (CID 52920586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).