methyl 4-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate

C16H12O6 — CID 141376921

IUPACmethyl 4-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc2cccc(OC(=O)c3ccco3)c12
InChIInChI=1S/C16H12O6/c1-9-13(16(18)19-2)14-10(21-9)5-3-6-11(14)22-15(17)12-7-4-8-20-12/h3-8H,1-2H3
InChIKeyUVKOYBHQRJLTCV-UHFFFAOYSA-N
MW300.27 g/mol
LogP3.34
Rot. Bonds3

About methyl 4-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate

methyl 4-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate (PubChem CID 141376921) has the molecular formula C16H12O6 and a molecular weight of 300.27 g/mol. Its IUPAC name is methyl 4-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate
PubChem CID141376921
Molecular FormulaC16H12O6
Molecular Weight300.27 g/mol
Exact Mass300.06
IUPAC Namemethyl 4-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc2cccc(OC(=O)c3ccco3)c12
InChIInChI=1S/C16H12O6/c1-9-13(16(18)19-2)14-10(21-9)5-3-6-11(14)22-15(17)12-7-4-8-20-12/h3-8H,1-2H3
InChIKeyUVKOYBHQRJLTCV-UHFFFAOYSA-N
XLogP3.34
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,6-difluorobenzoyl)oxyphenyl] furan-2-carboxylate
CID 91716966
1,1'-biphenyl;methyl furan-2-carboxylate
CID 159970386
(4-bromo-2-methoxycarbonylphenyl) furan-2-carboxylate
CID 4289720
(5-hydroxynaphthalen-1-yl) furan-2-carboxylate
CID 7314053
[2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate
CID 91715138
[2-(furan-2-carbonylamino)-3-pyridinyl] furan-2-carboxylate
CID 17018639
(2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate
CID 58189999
[2-(propanoylamino)phenyl] furan-2-carboxylate
CID 23010896
dimethyl 2,5-dimethylfuran-3,4-dicarboxylate
CID 12706089
(2-oxo-1H-pyridin-3-yl) furan-2-carboxylate
CID 44583499
[2-(cyclobutanecarbonyloxy)phenyl] furan-2-carboxylate
CID 91700525
dimethyl 4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 34256749

Frequently Asked Questions

What is the IUPAC name of methyl 4-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate?
The IUPAC name of methyl 4-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate (CID 141376921) is methyl 4-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for methyl 4-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate?
The canonical SMILES for methyl 4-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate is COC(=O)c1c(C)oc2cccc(OC(=O)c3ccco3)c12.
What is the InChIKey of methyl 4-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate?
The InChIKey is UVKOYBHQRJLTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O6/c1-9-13(16(18)19-2)14-10(21-9)5-3-6-11(14)22-15(17)12-7-4-8-20-12/h3-8H,1-2H3.
What are the key properties of methyl 4-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate?
methyl 4-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate has a molecular weight of 300.27 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 141376921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).