[3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate

C16H10O6 — CID 792901

IUPAC[3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate
SMILESO=C(Oc1cccc(OC(=O)c2ccco2)c1)c1ccco1
InChIInChI=1S/C16H10O6/c17-15(13-6-2-8-19-13)21-11-4-1-5-12(10-11)22-16(18)14-7-3-9-20-14/h1-10H
InChIKeyPPIVYUNYGYDIQR-UHFFFAOYSA-N
MW298.25 g/mol
LogP3.31
Rot. Bonds4

About [3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate

[3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate (PubChem CID 792901) has the molecular formula C16H10O6 and a molecular weight of 298.25 g/mol. Its IUPAC name is [3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate
PubChem CID792901
Molecular FormulaC16H10O6
Molecular Weight298.25 g/mol
Exact Mass298.05
IUPAC Name[3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate
SMILESO=C(Oc1cccc(OC(=O)c2ccco2)c1)c1ccco1
InChIInChI=1S/C16H10O6/c17-15(13-6-2-8-19-13)21-11-4-1-5-12(10-11)22-16(18)14-7-3-9-20-14/h1-10H
InChIKeyPPIVYUNYGYDIQR-UHFFFAOYSA-N
XLogP3.31
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate?
The IUPAC name of [3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate (CID 792901) is [3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate.
What is the SMILES notation for [3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate?
The canonical SMILES for [3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate is O=C(Oc1cccc(OC(=O)c2ccco2)c1)c1ccco1.
What is the InChIKey of [3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate?
The InChIKey is PPIVYUNYGYDIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O6/c17-15(13-6-2-8-19-13)21-11-4-1-5-12(10-11)22-16(18)14-7-3-9-20-14/h1-10H.
What are the key properties of [3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate?
[3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate has a molecular weight of 298.25 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate is sourced from PubChem (CID 792901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).