1-hydroxy-3-methoxypropan-2-one

C4H8O3 — CID 14926651

IUPAC1-hydroxy-3-methoxypropan-2-one
SMILESCOCC(=O)CO
InChIInChI=1S/C4H8O3/c1-7-3-4(6)2-5/h5H,2-3H2,1H3
InChIKeyIHYXTIZGRRSCNF-UHFFFAOYSA-N
MW104.11 g/mol
LogP-0.81
Rot. Bonds3

About 1-hydroxy-3-methoxypropan-2-one

1-hydroxy-3-methoxypropan-2-one (PubChem CID 14926651) has the molecular formula C4H8O3 and a molecular weight of 104.11 g/mol. Its IUPAC name is 1-hydroxy-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-hydroxy-3-methoxypropan-2-one
PubChem CID14926651
Molecular FormulaC4H8O3
Molecular Weight104.11 g/mol
Exact Mass104.05
IUPAC Name1-hydroxy-3-methoxypropan-2-one
SMILESCOCC(=O)CO
InChIInChI=1S/C4H8O3/c1-7-3-4(6)2-5/h5H,2-3H2,1H3
InChIKeyIHYXTIZGRRSCNF-UHFFFAOYSA-N
XLogP-0.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methoxypropan-2-one?
The IUPAC name of 1-hydroxy-3-methoxypropan-2-one (CID 14926651) is 1-hydroxy-3-methoxypropan-2-one.
What is the SMILES notation for 1-hydroxy-3-methoxypropan-2-one?
The canonical SMILES for 1-hydroxy-3-methoxypropan-2-one is COCC(=O)CO.
What is the InChIKey of 1-hydroxy-3-methoxypropan-2-one?
The InChIKey is IHYXTIZGRRSCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3/c1-7-3-4(6)2-5/h5H,2-3H2,1H3.
What are the key properties of 1-hydroxy-3-methoxypropan-2-one?
1-hydroxy-3-methoxypropan-2-one has a molecular weight of 104.11 g/mol, XLogP of -0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methoxypropan-2-one is sourced from PubChem (CID 14926651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).