1-[5-(hydroxymethyl)furan-2-yl]ethanone

C7H8O3 — CID 580381

IUPAC1-[5-(hydroxymethyl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(CO)o1
InChIInChI=1S/C7H8O3/c1-5(9)7-3-2-6(4-8)10-7/h2-3,8H,4H2,1H3
InChIKeyWPUGXTIOWBWKJY-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.97
Rot. Bonds2

About 1-[5-(hydroxymethyl)furan-2-yl]ethanone

1-[5-(hydroxymethyl)furan-2-yl]ethanone (PubChem CID 580381) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 1-[5-(hydroxymethyl)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(hydroxymethyl)furan-2-yl]ethanone
PubChem CID580381
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name1-[5-(hydroxymethyl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(CO)o1
InChIInChI=1S/C7H8O3/c1-5(9)7-3-2-6(4-8)10-7/h2-3,8H,4H2,1H3
InChIKeyWPUGXTIOWBWKJY-UHFFFAOYSA-N
XLogP0.97
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxymethyl)furan-2-yl]ethanone?
The IUPAC name of 1-[5-(hydroxymethyl)furan-2-yl]ethanone (CID 580381) is 1-[5-(hydroxymethyl)furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(hydroxymethyl)furan-2-yl]ethanone?
The canonical SMILES for 1-[5-(hydroxymethyl)furan-2-yl]ethanone is CC(=O)c1ccc(CO)o1.
What is the InChIKey of 1-[5-(hydroxymethyl)furan-2-yl]ethanone?
The InChIKey is WPUGXTIOWBWKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-5(9)7-3-2-6(4-8)10-7/h2-3,8H,4H2,1H3.
What are the key properties of 1-[5-(hydroxymethyl)furan-2-yl]ethanone?
1-[5-(hydroxymethyl)furan-2-yl]ethanone has a molecular weight of 140.14 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(hydroxymethyl)furan-2-yl]ethanone is sourced from PubChem (CID 580381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).