dimethyl 4-methoxy-5-oxo-2-phenylfuran-2,3-dicarboxylate

C15H14O7 — CID 10662400

IUPACdimethyl 4-methoxy-5-oxo-2-phenylfuran-2,3-dicarboxylate
SMILESCOC(=O)C1=C(OC)C(=O)OC1(C(=O)OC)c1ccccc1
InChIInChI=1S/C15H14O7/c1-19-11-10(12(16)20-2)15(14(18)21-3,22-13(11)17)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyQOUMOAPBGIUENX-UHFFFAOYSA-N
MW306.27 g/mol
LogP0.69
Rot. Bonds4

About dimethyl 4-methoxy-5-oxo-2-phenylfuran-2,3-dicarboxylate

dimethyl 4-methoxy-5-oxo-2-phenylfuran-2,3-dicarboxylate (PubChem CID 10662400) has the molecular formula C15H14O7 and a molecular weight of 306.27 g/mol. Its IUPAC name is dimethyl 4-methoxy-5-oxo-2-phenylfuran-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-methoxy-5-oxo-2-phenylfuran-2,3-dicarboxylate
PubChem CID10662400
Molecular FormulaC15H14O7
Molecular Weight306.27 g/mol
Exact Mass306.07
IUPAC Namedimethyl 4-methoxy-5-oxo-2-phenylfuran-2,3-dicarboxylate
SMILESCOC(=O)C1=C(OC)C(=O)OC1(C(=O)OC)c1ccccc1
InChIInChI=1S/C15H14O7/c1-19-11-10(12(16)20-2)15(14(18)21-3,22-13(11)17)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyQOUMOAPBGIUENX-UHFFFAOYSA-N
XLogP0.69
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

dimethyl 1,8-diphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate
CID 15566984
methyl (2S)-2-(4-methylphenyl)-5-oxo-3-phenylfuran-2-carboxylate
CID 135063303
methyl 3-hydroxy-4,4-dimethyl-5-oxo-2,2-diphenyloxolane-3-carboxylate
CID 14077313
methyl (2S)-2-(4-fluorophenyl)-5-oxo-3-phenylfuran-2-carboxylate
CID 135000056
methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate
CID 100975897
tetramethyl 2-phenyl-2H-furan-3,4,5,5-tetracarboxylate
CID 12820172
tetramethyl (1R,12S,13R,14R,17S,18S)-3,10-dimethoxy-20-oxahexacyclo[10.6.1.114,17.02,11.04,9.013,18]icosa-2,4,6,8,10,15-hexaene-14,15,16,17-tetracarboxylate
CID 11295827
methyl 1-hydroxy-5,5-diphenylcyclopent-2-ene-1-carboxylate
CID 14434450
methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate
CID 129408452
trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate
CID 101031534
cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate
CID 101031556
methyl 2-phenylspiro[2.3]hexane-2-carboxylate
CID 134589125

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-methoxy-5-oxo-2-phenylfuran-2,3-dicarboxylate?
The IUPAC name of dimethyl 4-methoxy-5-oxo-2-phenylfuran-2,3-dicarboxylate (CID 10662400) is dimethyl 4-methoxy-5-oxo-2-phenylfuran-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-methoxy-5-oxo-2-phenylfuran-2,3-dicarboxylate?
The canonical SMILES for dimethyl 4-methoxy-5-oxo-2-phenylfuran-2,3-dicarboxylate is COC(=O)C1=C(OC)C(=O)OC1(C(=O)OC)c1ccccc1.
What is the InChIKey of dimethyl 4-methoxy-5-oxo-2-phenylfuran-2,3-dicarboxylate?
The InChIKey is QOUMOAPBGIUENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O7/c1-19-11-10(12(16)20-2)15(14(18)21-3,22-13(11)17)9-7-5-4-6-8-9/h4-8H,1-3H3.
What are the key properties of dimethyl 4-methoxy-5-oxo-2-phenylfuran-2,3-dicarboxylate?
dimethyl 4-methoxy-5-oxo-2-phenylfuran-2,3-dicarboxylate has a molecular weight of 306.27 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-methoxy-5-oxo-2-phenylfuran-2,3-dicarboxylate is sourced from PubChem (CID 10662400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).