[5-(hydroxymethyl)furan-2-yl]methyl acetate

C8H10O4 — CID 12711087

IUPAC[5-(hydroxymethyl)furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(CO)o1
InChIInChI=1S/C8H10O4/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-3,9H,4-5H2,1H3
InChIKeyKUVRLCOEIGGESY-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.83
Rot. Bonds3

About [5-(hydroxymethyl)furan-2-yl]methyl acetate

[5-(hydroxymethyl)furan-2-yl]methyl acetate (PubChem CID 12711087) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is [5-(hydroxymethyl)furan-2-yl]methyl acetate.

Molecular Properties

Compound Name[5-(hydroxymethyl)furan-2-yl]methyl acetate
PubChem CID12711087
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name[5-(hydroxymethyl)furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(CO)o1
InChIInChI=1S/C8H10O4/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-3,9H,4-5H2,1H3
InChIKeyKUVRLCOEIGGESY-UHFFFAOYSA-N
XLogP0.83
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)furan-2-yl]methyl acetate?
The IUPAC name of [5-(hydroxymethyl)furan-2-yl]methyl acetate (CID 12711087) is [5-(hydroxymethyl)furan-2-yl]methyl acetate.
What is the SMILES notation for [5-(hydroxymethyl)furan-2-yl]methyl acetate?
The canonical SMILES for [5-(hydroxymethyl)furan-2-yl]methyl acetate is CC(=O)OCc1ccc(CO)o1.
What is the InChIKey of [5-(hydroxymethyl)furan-2-yl]methyl acetate?
The InChIKey is KUVRLCOEIGGESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-3,9H,4-5H2,1H3.
What are the key properties of [5-(hydroxymethyl)furan-2-yl]methyl acetate?
[5-(hydroxymethyl)furan-2-yl]methyl acetate has a molecular weight of 170.16 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)furan-2-yl]methyl acetate is sourced from PubChem (CID 12711087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).