furan-3-ylmethyl acetate

C7H8O3 — CID 566611

IUPACfuran-3-ylmethyl acetate
SMILESCC(=O)OCc1ccoc1
InChIInChI=1S/C7H8O3/c1-6(8)10-5-7-2-3-9-4-7/h2-4H,5H2,1H3
InChIKeyQJHHMZOFNNPSHQ-UHFFFAOYSA-N
MW140.14 g/mol
LogP1.34
Rot. Bonds2

About furan-3-ylmethyl acetate

furan-3-ylmethyl acetate (PubChem CID 566611) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is furan-3-ylmethyl acetate.

Molecular Properties

Compound Namefuran-3-ylmethyl acetate
PubChem CID566611
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Namefuran-3-ylmethyl acetate
SMILESCC(=O)OCc1ccoc1
InChIInChI=1S/C7H8O3/c1-6(8)10-5-7-2-3-9-4-7/h2-4H,5H2,1H3
InChIKeyQJHHMZOFNNPSHQ-UHFFFAOYSA-N
XLogP1.34
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-3-ylmethyl acetate?
The IUPAC name of furan-3-ylmethyl acetate (CID 566611) is furan-3-ylmethyl acetate.
What is the SMILES notation for furan-3-ylmethyl acetate?
The canonical SMILES for furan-3-ylmethyl acetate is CC(=O)OCc1ccoc1.
What is the InChIKey of furan-3-ylmethyl acetate?
The InChIKey is QJHHMZOFNNPSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-6(8)10-5-7-2-3-9-4-7/h2-4H,5H2,1H3.
What are the key properties of furan-3-ylmethyl acetate?
furan-3-ylmethyl acetate has a molecular weight of 140.14 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-ylmethyl acetate is sourced from PubChem (CID 566611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).