1,3-dihydroxypropan-2-(18O)one

C3H6O3 — CID 10953428

IUPAC1,3-dihydroxypropan-2-(18O)one
SMILESOCC(=[18O])CO
InChIInChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2/i6+2
InChIKeyRXKJFZQQPQGTFL-ZQBYOMGUSA-N
MW92.08 g/mol
LogP-1.46
Rot. Bonds2

About 1,3-dihydroxypropan-2-(18O)one

1,3-dihydroxypropan-2-(18O)one (PubChem CID 10953428) has the molecular formula C3H6O3 and a molecular weight of 92.08 g/mol. Its IUPAC name is 1,3-dihydroxypropan-2-(18O)one.

Molecular Properties

Compound Name1,3-dihydroxypropan-2-(18O)one
PubChem CID10953428
Molecular FormulaC3H6O3
Molecular Weight92.08 g/mol
Exact Mass92.04
IUPAC Name1,3-dihydroxypropan-2-(18O)one
SMILESOCC(=[18O])CO
InChIInChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2/i6+2
InChIKeyRXKJFZQQPQGTFL-ZQBYOMGUSA-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 ≤ 50092.08
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,3-dihydroxypropan-2-(18O)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 1,3-dihydroxypropan-2-(18O)one?
The IUPAC name of 1,3-dihydroxypropan-2-(18O)one (CID 10953428) is 1,3-dihydroxypropan-2-(18O)one.
What is the SMILES notation for 1,3-dihydroxypropan-2-(18O)one?
The canonical SMILES for 1,3-dihydroxypropan-2-(18O)one is OCC(=[18O])CO.
What is the InChIKey of 1,3-dihydroxypropan-2-(18O)one?
The InChIKey is RXKJFZQQPQGTFL-ZQBYOMGUSA-N. The full InChI is InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2/i6+2.
What are the key properties of 1,3-dihydroxypropan-2-(18O)one?
1,3-dihydroxypropan-2-(18O)one has a molecular weight of 92.08 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-(18O)one is sourced from PubChem (CID 10953428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).