dimethyl 2-(2-methoxycarbonylphenyl)furan-3,4-dicarboxylate

C16H14O7 — CID 14902064

IUPACdimethyl 2-(2-methoxycarbonylphenyl)furan-3,4-dicarboxylate
SMILESCOC(=O)c1ccccc1-c1occ(C(=O)OC)c1C(=O)OC
InChIInChI=1S/C16H14O7/c1-20-14(17)10-7-5-4-6-9(10)13-12(16(19)22-3)11(8-23-13)15(18)21-2/h4-8H,1-3H3
InChIKeyMUJVEESFEHBRTF-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.31
Rot. Bonds4

About dimethyl 2-(2-methoxycarbonylphenyl)furan-3,4-dicarboxylate

dimethyl 2-(2-methoxycarbonylphenyl)furan-3,4-dicarboxylate (PubChem CID 14902064) has the molecular formula C16H14O7 and a molecular weight of 318.28 g/mol. Its IUPAC name is dimethyl 2-(2-methoxycarbonylphenyl)furan-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(2-methoxycarbonylphenyl)furan-3,4-dicarboxylate
PubChem CID14902064
Molecular FormulaC16H14O7
Molecular Weight318.28 g/mol
Exact Mass318.07
IUPAC Namedimethyl 2-(2-methoxycarbonylphenyl)furan-3,4-dicarboxylate
SMILESCOC(=O)c1ccccc1-c1occ(C(=O)OC)c1C(=O)OC
InChIInChI=1S/C16H14O7/c1-20-14(17)10-7-5-4-6-9(10)13-12(16(19)22-3)11(8-23-13)15(18)21-2/h4-8H,1-3H3
InChIKeyMUJVEESFEHBRTF-UHFFFAOYSA-N
XLogP2.31
TPSA92.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.31
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 2-(2-methylphenyl)furan-3,4-dicarboxylate
CID 141186952
dimethyl 2-(4-chlorophenyl)furan-3,4-dicarboxylate
CID 11770872
dimethyl 2-(3-methylphenyl)furan-3,4-dicarboxylate
CID 141186946
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
dimethyl 3-trimethylsilylbenzene-1,2-dicarboxylate
CID 24938477
methyl 2-(2-chlorophenyl)benzoate
CID 1393589
methyl 4-(4-methylbenzoyl)-2-phenylfuran-3-carboxylate
CID 101099936
bis(2,2-dimethylpropyl) 2-(2-methylphenyl)furan-3,4-dicarboxylate
CID 141186950
dimethyl 3-aminobenzene-1,2-dicarboxylate
CID 13399384
dimethyl 3-methylbenzene-1,2-dicarboxylate;ethane
CID 144706370
methyl 2-(5-acetylfuran-2-yl)benzoate
CID 16649203

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(2-methoxycarbonylphenyl)furan-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-(2-methoxycarbonylphenyl)furan-3,4-dicarboxylate (CID 14902064) is dimethyl 2-(2-methoxycarbonylphenyl)furan-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-(2-methoxycarbonylphenyl)furan-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-(2-methoxycarbonylphenyl)furan-3,4-dicarboxylate is COC(=O)c1ccccc1-c1occ(C(=O)OC)c1C(=O)OC.
What is the InChIKey of dimethyl 2-(2-methoxycarbonylphenyl)furan-3,4-dicarboxylate?
The InChIKey is MUJVEESFEHBRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O7/c1-20-14(17)10-7-5-4-6-9(10)13-12(16(19)22-3)11(8-23-13)15(18)21-2/h4-8H,1-3H3.
What are the key properties of dimethyl 2-(2-methoxycarbonylphenyl)furan-3,4-dicarboxylate?
dimethyl 2-(2-methoxycarbonylphenyl)furan-3,4-dicarboxylate has a molecular weight of 318.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(2-methoxycarbonylphenyl)furan-3,4-dicarboxylate is sourced from PubChem (CID 14902064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).