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

C15H14O6 — CID 878575

IUPACdimethyl 2-(4-methoxyphenyl)furan-3,4-dicarboxylate
SMILESCOC(=O)c1coc(-c2ccc(OC)cc2)c1C(=O)OC
InChIInChI=1S/C15H14O6/c1-18-10-6-4-9(5-7-10)13-12(15(17)20-3)11(8-21-13)14(16)19-2/h4-8H,1-3H3
InChIKeyPSYDMQMBDOLEEN-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.53
Rot. Bonds4

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

dimethyl 2-(4-methoxyphenyl)furan-3,4-dicarboxylate (PubChem CID 878575) has the molecular formula C15H14O6 and a molecular weight of 290.27 g/mol. Its IUPAC name is dimethyl 2-(4-methoxyphenyl)furan-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(4-methoxyphenyl)furan-3,4-dicarboxylate
PubChem CID878575
Molecular FormulaC15H14O6
Molecular Weight290.27 g/mol
Exact Mass290.08
IUPAC Namedimethyl 2-(4-methoxyphenyl)furan-3,4-dicarboxylate
SMILESCOC(=O)c1coc(-c2ccc(OC)cc2)c1C(=O)OC
InChIInChI=1S/C15H14O6/c1-18-10-6-4-9(5-7-10)13-12(15(17)20-3)11(8-21-13)14(16)19-2/h4-8H,1-3H3
InChIKeyPSYDMQMBDOLEEN-UHFFFAOYSA-N
XLogP2.53
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(4-methoxyphenyl)furan-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-(4-methoxyphenyl)furan-3,4-dicarboxylate (CID 878575) is dimethyl 2-(4-methoxyphenyl)furan-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-(4-methoxyphenyl)furan-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-(4-methoxyphenyl)furan-3,4-dicarboxylate is COC(=O)c1coc(-c2ccc(OC)cc2)c1C(=O)OC.
What is the InChIKey of dimethyl 2-(4-methoxyphenyl)furan-3,4-dicarboxylate?
The InChIKey is PSYDMQMBDOLEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O6/c1-18-10-6-4-9(5-7-10)13-12(15(17)20-3)11(8-21-13)14(16)19-2/h4-8H,1-3H3.
What are the key properties of dimethyl 2-(4-methoxyphenyl)furan-3,4-dicarboxylate?
dimethyl 2-(4-methoxyphenyl)furan-3,4-dicarboxylate has a molecular weight of 290.27 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(4-methoxyphenyl)furan-3,4-dicarboxylate is sourced from PubChem (CID 878575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).