furan-2-yl acetate

C6H6O3 — CID 12719907

IUPACfuran-2-yl acetate
SMILESCC(=O)Oc1ccco1
InChIInChI=1S/C6H6O3/c1-5(7)9-6-3-2-4-8-6/h2-4H,1H3
InChIKeyUMYRBJJAPQINKS-UHFFFAOYSA-N
MW126.11 g/mol
LogP1.20
Rot. Bonds1

About furan-2-yl acetate

furan-2-yl acetate (PubChem CID 12719907) has the molecular formula C6H6O3 and a molecular weight of 126.11 g/mol. Its IUPAC name is furan-2-yl acetate.

Molecular Properties

Compound Namefuran-2-yl acetate
PubChem CID12719907
Molecular FormulaC6H6O3
Molecular Weight126.11 g/mol
Exact Mass126.03
IUPAC Namefuran-2-yl acetate
SMILESCC(=O)Oc1ccco1
InChIInChI=1S/C6H6O3/c1-5(7)9-6-3-2-4-8-6/h2-4H,1H3
InChIKeyUMYRBJJAPQINKS-UHFFFAOYSA-N
XLogP1.20
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl acetate?
The IUPAC name of furan-2-yl acetate (CID 12719907) is furan-2-yl acetate.
What is the SMILES notation for furan-2-yl acetate?
The canonical SMILES for furan-2-yl acetate is CC(=O)Oc1ccco1.
What is the InChIKey of furan-2-yl acetate?
The InChIKey is UMYRBJJAPQINKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3/c1-5(7)9-6-3-2-4-8-6/h2-4H,1H3.
What are the key properties of furan-2-yl acetate?
furan-2-yl acetate has a molecular weight of 126.11 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl acetate is sourced from PubChem (CID 12719907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).