ethyl 4-benzyl-5-methylfuran-2-carboxylate

C15H16O3 — CID 102582435

IUPACethyl 4-benzyl-5-methylfuran-2-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccccc2)c(C)o1
InChIInChI=1S/C15H16O3/c1-3-17-15(16)14-10-13(11(2)18-14)9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3
InChIKeyIWFXANNYXBRQGJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.36
Rot. Bonds4

About ethyl 4-benzyl-5-methylfuran-2-carboxylate

ethyl 4-benzyl-5-methylfuran-2-carboxylate (PubChem CID 102582435) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 4-benzyl-5-methylfuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-benzyl-5-methylfuran-2-carboxylate
PubChem CID102582435
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Nameethyl 4-benzyl-5-methylfuran-2-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccccc2)c(C)o1
InChIInChI=1S/C15H16O3/c1-3-17-15(16)14-10-13(11(2)18-14)9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3
InChIKeyIWFXANNYXBRQGJ-UHFFFAOYSA-N
XLogP3.36
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(bromomethyl)-5-methylfuran-2-carboxylate
CID 15180431
diethyl 3-(3-phenylpropyl)furan-2,5-dicarboxylate
CID 141345102
ethyl 3-benzyl-4-methylbenzoate
CID 86240773
ethyl 4-benzyl-2,3-dichlorobenzoate
CID 70381316
ethyl 5,6-dibenzyl-2-oxochromene-3-carboxylate
CID 87515912
ethyl 4-benzyl-6-ethyl-3-hydroxypyridine-2-carboxylate
CID 132962109
ethyl benzo[e][1]benzofuran-2-carboxylate
CID 738036
ethyl 2-methyl-5-(3-oxo-4-phenylbutyl)furan-3-carboxylate
CID 102312423
ethyl 4,5-dihydrobenzo[e][1]benzofuran-2-carboxylate
CID 10331966
ethyl 2-(5-benzyl-1,3,4-oxadiazol-2-yl)acetate
CID 164897034
ethyl 2-phenylacetate
CID 7590
ethyl 2-amino-5-benzyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 71608505

Frequently Asked Questions

What is the IUPAC name of ethyl 4-benzyl-5-methylfuran-2-carboxylate?
The IUPAC name of ethyl 4-benzyl-5-methylfuran-2-carboxylate (CID 102582435) is ethyl 4-benzyl-5-methylfuran-2-carboxylate.
What is the SMILES notation for ethyl 4-benzyl-5-methylfuran-2-carboxylate?
The canonical SMILES for ethyl 4-benzyl-5-methylfuran-2-carboxylate is CCOC(=O)c1cc(Cc2ccccc2)c(C)o1.
What is the InChIKey of ethyl 4-benzyl-5-methylfuran-2-carboxylate?
The InChIKey is IWFXANNYXBRQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-3-17-15(16)14-10-13(11(2)18-14)9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3.
What are the key properties of ethyl 4-benzyl-5-methylfuran-2-carboxylate?
ethyl 4-benzyl-5-methylfuran-2-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-benzyl-5-methylfuran-2-carboxylate is sourced from PubChem (CID 102582435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).