1-(2-hydroxypyran-2-yl)ethanone

C7H8O3 — CID 140525071

IUPAC1-(2-hydroxypyran-2-yl)ethanone
SMILESCC(=O)C1(O)C=CC=CO1
InChIInChI=1S/C7H8O3/c1-6(8)7(9)4-2-3-5-10-7/h2-5,9H,1H3
InChIKeyJMYCSNROUPNRBG-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.36
Rot. Bonds1

About 1-(2-hydroxypyran-2-yl)ethanone

1-(2-hydroxypyran-2-yl)ethanone (PubChem CID 140525071) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 1-(2-hydroxypyran-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxypyran-2-yl)ethanone
PubChem CID140525071
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name1-(2-hydroxypyran-2-yl)ethanone
SMILESCC(=O)C1(O)C=CC=CO1
InChIInChI=1S/C7H8O3/c1-6(8)7(9)4-2-3-5-10-7/h2-5,9H,1H3
InChIKeyJMYCSNROUPNRBG-UHFFFAOYSA-N
XLogP0.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-hydroxypyran-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxypyran-2-carboxylic acid
CID 56994075
1-(1-acetylcyclopenta-2,4-dien-1-yl)ethanone
CID 15072307
(2-methylpyran-2-yl) hydrogen carbonate
CID 70440239
1-(4-acetyl-1,4-dihydroxycyclohexa-2,5-dien-1-yl)ethanone
CID 20539777
CID 58933226
CID 58933226
2,2-di(propan-2-yloxy)pyran
CID 67849418
1-(1,6-dichlorocyclohexa-2,4-dien-1-yl)ethanone
CID 150946013
1-[2-(hydroxymethyl)-1H-pyridin-2-yl]ethanone
CID 174946591
2H-oxazine;propan-2-one
CID 165061305
(1S,6R)-6-fluoro-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid
CID 23724765
bis(zirconium(4+));acetate;hydroxide
CID 172795489
(1-acetylcyclohexa-2,4-dien-1-yl)boronic acid
CID 142702865

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypyran-2-yl)ethanone?
The IUPAC name of 1-(2-hydroxypyran-2-yl)ethanone (CID 140525071) is 1-(2-hydroxypyran-2-yl)ethanone.
What is the SMILES notation for 1-(2-hydroxypyran-2-yl)ethanone?
The canonical SMILES for 1-(2-hydroxypyran-2-yl)ethanone is CC(=O)C1(O)C=CC=CO1.
What is the InChIKey of 1-(2-hydroxypyran-2-yl)ethanone?
The InChIKey is JMYCSNROUPNRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-6(8)7(9)4-2-3-5-10-7/h2-5,9H,1H3.
What are the key properties of 1-(2-hydroxypyran-2-yl)ethanone?
1-(2-hydroxypyran-2-yl)ethanone has a molecular weight of 140.14 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypyran-2-yl)ethanone is sourced from PubChem (CID 140525071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).