furan-2-ylmethyl acetate

C7H8O3 — CID 12170

IUPACfuran-2-ylmethyl acetate
SMILESCC(=O)OCc1ccco1
InChIInChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3
InChIKeyCKOYRRWBOKMNRG-UHFFFAOYSA-N
MW140.14 g/mol
LogP1.34
Rot. Bonds2

About furan-2-ylmethyl acetate

furan-2-ylmethyl acetate (PubChem CID 12170) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is furan-2-ylmethyl acetate.

Molecular Properties

Compound Namefuran-2-ylmethyl acetate
PubChem CID12170
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Namefuran-2-ylmethyl acetate
SMILESCC(=O)OCc1ccco1
InChIInChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3
InChIKeyCKOYRRWBOKMNRG-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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Related Compounds

Furfural
CID 7362
Furfuryl Alcohol
CID 7361
2-Methylfuran
CID 10797
Methyl 2-furoate
CID 11902
5-Methylfurfural
CID 12097
2-Acetylfuran
CID 14505
2-Ethylfuran
CID 18554
2-Furancarboxylic acid
CID 6919
Furfuryl butyrate
CID 61167
Propyl 2-furoate
CID 11982
Allyl furoate
CID 61337
Furfuryl ethyl ether
CID 80455

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl acetate?
The IUPAC name of furan-2-ylmethyl acetate (CID 12170) is furan-2-ylmethyl acetate.
What is the SMILES notation for furan-2-ylmethyl acetate?
The canonical SMILES for furan-2-ylmethyl acetate is CC(=O)OCc1ccco1.
What is the InChIKey of furan-2-ylmethyl acetate?
The InChIKey is CKOYRRWBOKMNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3.
What are the key properties of furan-2-ylmethyl acetate?
furan-2-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-2-ylmethyl acetate is sourced from PubChem (CID 12170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).