1-hydroxypropan-2-one

C3H6O2 — CID 8299

IUPAC1-hydroxypropan-2-one
SMILESCC(=O)CO
InChIInChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3
InChIKeyXLSMFKSTNGKWQX-UHFFFAOYSA-N
MW74.08 g/mol
LogP-0.43
Rot. Bonds1

About 1-hydroxypropan-2-one

1-hydroxypropan-2-one (PubChem CID 8299) has the molecular formula C3H6O2 and a molecular weight of 74.08 g/mol. Its IUPAC name is 1-hydroxypropan-2-one.

Molecular Properties

Compound Name1-hydroxypropan-2-one
PubChem CID8299
Molecular FormulaC3H6O2
Molecular Weight74.08 g/mol
Exact Mass74.04
IUPAC Name1-hydroxypropan-2-one
SMILESCC(=O)CO
InChIInChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3
InChIKeyXLSMFKSTNGKWQX-UHFFFAOYSA-N
XLogP-0.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.08
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropan-2-one?
The IUPAC name of 1-hydroxypropan-2-one (CID 8299) is 1-hydroxypropan-2-one.
What is the SMILES notation for 1-hydroxypropan-2-one?
The canonical SMILES for 1-hydroxypropan-2-one is CC(=O)CO.
What is the InChIKey of 1-hydroxypropan-2-one?
The InChIKey is XLSMFKSTNGKWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3.
What are the key properties of 1-hydroxypropan-2-one?
1-hydroxypropan-2-one has a molecular weight of 74.08 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropan-2-one is sourced from PubChem (CID 8299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).