1,3-dihydroxypropan-2-one

C3H6O3 — CID 670

IUPAC1,3-dihydroxypropan-2-one
SMILESO=C(CO)CO
InChIInChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2
InChIKeyRXKJFZQQPQGTFL-UHFFFAOYSA-N
MW90.08 g/mol
LogP-1.46
Rot. Bonds2

About 1,3-dihydroxypropan-2-one

1,3-dihydroxypropan-2-one (PubChem CID 670) has the molecular formula C3H6O3 and a molecular weight of 90.08 g/mol. Its IUPAC name is 1,3-dihydroxypropan-2-one.

Molecular Properties

Compound Name1,3-dihydroxypropan-2-one
PubChem CID670
Molecular FormulaC3H6O3
Molecular Weight90.08 g/mol
Exact Mass90.03
IUPAC Name1,3-dihydroxypropan-2-one
SMILESO=C(CO)CO
InChIInChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2
InChIKeyRXKJFZQQPQGTFL-UHFFFAOYSA-N
XLogP-1.46
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.08
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Hydroxyacetone
CID 8299
Fluorohydroxyacetone
CID 150638
Dihydroxymethyl ketone
CID 14923235
1-Hydroxy-3-phosphanyloxypropan-2-one
CID 59065527
1-Hydroxypropan-2-ylideneoxidanium
CID 59187814
Glyceron-water
CID 129674481
Water 3hydroxy-acetone
CID 129761452
1,3-Difluoro-1,3-dihydroxypropan-2-one
CID 151448255
1-Arsonatooxy-3-hydroxypropan-2-one
CID 135055275
Trihydroxy-(3-hydroxy-2-oxopropoxy)boranuide
CID 135055893
13-Dihydroxypropan-2-one dimer
CID 533978
1,1-Dideuterio-1-hydroxypropan-2-one
CID 12241272

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxypropan-2-one?
The IUPAC name of 1,3-dihydroxypropan-2-one (CID 670) is 1,3-dihydroxypropan-2-one.
What is the SMILES notation for 1,3-dihydroxypropan-2-one?
The canonical SMILES for 1,3-dihydroxypropan-2-one is O=C(CO)CO.
What is the InChIKey of 1,3-dihydroxypropan-2-one?
The InChIKey is RXKJFZQQPQGTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2.
What are the key properties of 1,3-dihydroxypropan-2-one?
1,3-dihydroxypropan-2-one has a molecular weight of 90.08 g/mol, XLogP of -1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxypropan-2-one is sourced from PubChem (CID 670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).