5-hydroxy-5-(1-hydroxypropan-2-yl)-4-methoxyfuran-2-one

C8H12O5 — CID 66633447

IUPAC5-hydroxy-5-(1-hydroxypropan-2-yl)-4-methoxyfuran-2-one
SMILESCOC1=CC(=O)OC1(O)C(C)CO
InChIInChI=1S/C8H12O5/c1-5(4-9)8(11)6(12-2)3-7(10)13-8/h3,5,9,11H,4H2,1-2H3
InChIKeyKYBOAKZAMRPOQT-UHFFFAOYSA-N
MW188.18 g/mol
LogP-0.61
Rot. Bonds3

About 5-hydroxy-5-(1-hydroxypropan-2-yl)-4-methoxyfuran-2-one

5-hydroxy-5-(1-hydroxypropan-2-yl)-4-methoxyfuran-2-one (PubChem CID 66633447) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is 5-hydroxy-5-(1-hydroxypropan-2-yl)-4-methoxyfuran-2-one.

Molecular Properties

Compound Name5-hydroxy-5-(1-hydroxypropan-2-yl)-4-methoxyfuran-2-one
PubChem CID66633447
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Name5-hydroxy-5-(1-hydroxypropan-2-yl)-4-methoxyfuran-2-one
SMILESCOC1=CC(=O)OC1(O)C(C)CO
InChIInChI=1S/C8H12O5/c1-5(4-9)8(11)6(12-2)3-7(10)13-8/h3,5,9,11H,4H2,1-2H3
InChIKeyKYBOAKZAMRPOQT-UHFFFAOYSA-N
XLogP-0.61
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-(1-hydroxypropan-2-yl)-4-methoxyfuran-2-one?
The IUPAC name of 5-hydroxy-5-(1-hydroxypropan-2-yl)-4-methoxyfuran-2-one (CID 66633447) is 5-hydroxy-5-(1-hydroxypropan-2-yl)-4-methoxyfuran-2-one.
What is the SMILES notation for 5-hydroxy-5-(1-hydroxypropan-2-yl)-4-methoxyfuran-2-one?
The canonical SMILES for 5-hydroxy-5-(1-hydroxypropan-2-yl)-4-methoxyfuran-2-one is COC1=CC(=O)OC1(O)C(C)CO.
What is the InChIKey of 5-hydroxy-5-(1-hydroxypropan-2-yl)-4-methoxyfuran-2-one?
The InChIKey is KYBOAKZAMRPOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5/c1-5(4-9)8(11)6(12-2)3-7(10)13-8/h3,5,9,11H,4H2,1-2H3.
What are the key properties of 5-hydroxy-5-(1-hydroxypropan-2-yl)-4-methoxyfuran-2-one?
5-hydroxy-5-(1-hydroxypropan-2-yl)-4-methoxyfuran-2-one has a molecular weight of 188.18 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-(1-hydroxypropan-2-yl)-4-methoxyfuran-2-one is sourced from PubChem (CID 66633447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).