(5-methylfuran-2-yl)methyl formate

C7H8O3 — CID 58489131

IUPAC(5-methylfuran-2-yl)methyl formate
SMILESCc1ccc(COC=O)o1
InChIInChI=1S/C7H8O3/c1-6-2-3-7(10-6)4-9-5-8/h2-3,5H,4H2,1H3
InChIKeyUJIYLTWAHDYJDZ-UHFFFAOYSA-N
MW140.14 g/mol
LogP1.26
Rot. Bonds3

About (5-methylfuran-2-yl)methyl formate

(5-methylfuran-2-yl)methyl formate (PubChem CID 58489131) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is (5-methylfuran-2-yl)methyl formate.

Molecular Properties

Compound Name(5-methylfuran-2-yl)methyl formate
PubChem CID58489131
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name(5-methylfuran-2-yl)methyl formate
SMILESCc1ccc(COC=O)o1
InChIInChI=1S/C7H8O3/c1-6-2-3-7(10-6)4-9-5-8/h2-3,5H,4H2,1H3
InChIKeyUJIYLTWAHDYJDZ-UHFFFAOYSA-N
XLogP1.26
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)methyl formate?
The IUPAC name of (5-methylfuran-2-yl)methyl formate (CID 58489131) is (5-methylfuran-2-yl)methyl formate.
What is the SMILES notation for (5-methylfuran-2-yl)methyl formate?
The canonical SMILES for (5-methylfuran-2-yl)methyl formate is Cc1ccc(COC=O)o1.
What is the InChIKey of (5-methylfuran-2-yl)methyl formate?
The InChIKey is UJIYLTWAHDYJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-6-2-3-7(10-6)4-9-5-8/h2-3,5H,4H2,1H3.
What are the key properties of (5-methylfuran-2-yl)methyl formate?
(5-methylfuran-2-yl)methyl formate has a molecular weight of 140.14 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)methyl formate is sourced from PubChem (CID 58489131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).