1-(3-hydroxyfuran-2-yl)ethanone

C6H6O3 — CID 18898

IUPAC1-(3-hydroxyfuran-2-yl)ethanone
SMILESCC(=O)c1occc1O
InChIInChI=1S/C6H6O3/c1-4(7)6-5(8)2-3-9-6/h2-3,8H,1H3
InChIKeyHPIGCVXMBGOWTF-UHFFFAOYSA-N
MW126.11 g/mol
LogP1.19
Rot. Bonds1

About 1-(3-hydroxyfuran-2-yl)ethanone

1-(3-hydroxyfuran-2-yl)ethanone (PubChem CID 18898) has the molecular formula C6H6O3 and a molecular weight of 126.11 g/mol. Its IUPAC name is 1-(3-hydroxyfuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxyfuran-2-yl)ethanone
PubChem CID18898
Molecular FormulaC6H6O3
Molecular Weight126.11 g/mol
Exact Mass126.03
IUPAC Name1-(3-hydroxyfuran-2-yl)ethanone
SMILESCC(=O)c1occc1O
InChIInChI=1S/C6H6O3/c1-4(7)6-5(8)2-3-9-6/h2-3,8H,1H3
InChIKeyHPIGCVXMBGOWTF-UHFFFAOYSA-N
XLogP1.19
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyfuran-2-yl)ethanone?
The IUPAC name of 1-(3-hydroxyfuran-2-yl)ethanone (CID 18898) is 1-(3-hydroxyfuran-2-yl)ethanone.
What is the SMILES notation for 1-(3-hydroxyfuran-2-yl)ethanone?
The canonical SMILES for 1-(3-hydroxyfuran-2-yl)ethanone is CC(=O)c1occc1O.
What is the InChIKey of 1-(3-hydroxyfuran-2-yl)ethanone?
The InChIKey is HPIGCVXMBGOWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3/c1-4(7)6-5(8)2-3-9-6/h2-3,8H,1H3.
What are the key properties of 1-(3-hydroxyfuran-2-yl)ethanone?
1-(3-hydroxyfuran-2-yl)ethanone has a molecular weight of 126.11 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyfuran-2-yl)ethanone is sourced from PubChem (CID 18898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).