(2-methylfuran-3-yl)methyl acetate

C8H10O3 — CID 71480019

IUPAC(2-methylfuran-3-yl)methyl acetate
SMILESCC(=O)OCc1ccoc1C
InChIInChI=1S/C8H10O3/c1-6-8(3-4-10-6)5-11-7(2)9/h3-4H,5H2,1-2H3
InChIKeyDAKOTEWBSOALTO-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.65
Rot. Bonds2

About (2-methylfuran-3-yl)methyl acetate

(2-methylfuran-3-yl)methyl acetate (PubChem CID 71480019) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (2-methylfuran-3-yl)methyl acetate.

Molecular Properties

Compound Name(2-methylfuran-3-yl)methyl acetate
PubChem CID71480019
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(2-methylfuran-3-yl)methyl acetate
SMILESCC(=O)OCc1ccoc1C
InChIInChI=1S/C8H10O3/c1-6-8(3-4-10-6)5-11-7(2)9/h3-4H,5H2,1-2H3
InChIKeyDAKOTEWBSOALTO-UHFFFAOYSA-N
XLogP1.65
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-methylfuran-3-yl)methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-ethenylfuran-3-yl)methyl acetate
CID 174677957
[3-(acetyloxymethyl)furan-2-yl]methyl-trimethylazanium iodide
CID 132789511
ethane;(2-methylphenyl)methyl acetate
CID 143177732
(2-methylfuran-3-yl)methylurea
CID 130639643
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
[8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate
CID 102370759
(4-chloro-2-methylphenyl)methyl acetate
CID 91715961
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61370638
1-(2-methylfuran-3-yl)-3-[[4-(2-methylfuran-3-yl)-3-oxobutan-2-yl]disulfanyl]butan-2-one
CID 57098631
3-(bromomethyl)-2-methylfuran
CID 14141407
(3,4-difluoro-2-methylphenyl)methyl acetate
CID 130139606
(2,4-dihydroxyphenyl)methyl acetate
CID 102447193

Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)methyl acetate?
The IUPAC name of (2-methylfuran-3-yl)methyl acetate (CID 71480019) is (2-methylfuran-3-yl)methyl acetate.
What is the SMILES notation for (2-methylfuran-3-yl)methyl acetate?
The canonical SMILES for (2-methylfuran-3-yl)methyl acetate is CC(=O)OCc1ccoc1C.
What is the InChIKey of (2-methylfuran-3-yl)methyl acetate?
The InChIKey is DAKOTEWBSOALTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-6-8(3-4-10-6)5-11-7(2)9/h3-4H,5H2,1-2H3.
What are the key properties of (2-methylfuran-3-yl)methyl acetate?
(2-methylfuran-3-yl)methyl acetate has a molecular weight of 154.16 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)methyl acetate is sourced from PubChem (CID 71480019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).