1-(furan-2-yl)-2-hydroxyethanone

C6H6O3 — CID 519466

IUPAC1-(furan-2-yl)-2-hydroxyethanone
SMILESO=C(CO)c1ccco1
InChIInChI=1S/C6H6O3/c7-4-5(8)6-2-1-3-9-6/h1-3,7H,4H2
InChIKeyRSZZMVPSHLKFQY-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.45
Rot. Bonds2

About 1-(furan-2-yl)-2-hydroxyethanone

1-(furan-2-yl)-2-hydroxyethanone (PubChem CID 519466) has the molecular formula C6H6O3 and a molecular weight of 126.11 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-hydroxyethanone
PubChem CID519466
Molecular FormulaC6H6O3
Molecular Weight126.11 g/mol
Exact Mass126.03
IUPAC Name1-(furan-2-yl)-2-hydroxyethanone
SMILESO=C(CO)c1ccco1
InChIInChI=1S/C6H6O3/c7-4-5(8)6-2-1-3-9-6/h1-3,7H,4H2
InChIKeyRSZZMVPSHLKFQY-UHFFFAOYSA-N
XLogP0.45
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-hydroxyethanone?
The IUPAC name of 1-(furan-2-yl)-2-hydroxyethanone (CID 519466) is 1-(furan-2-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(furan-2-yl)-2-hydroxyethanone is O=C(CO)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-hydroxyethanone?
The InChIKey is RSZZMVPSHLKFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3/c7-4-5(8)6-2-1-3-9-6/h1-3,7H,4H2.
What are the key properties of 1-(furan-2-yl)-2-hydroxyethanone?
1-(furan-2-yl)-2-hydroxyethanone has a molecular weight of 126.11 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-hydroxyethanone is sourced from PubChem (CID 519466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).