[4-[4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate

C22H14O6 — CID 980642

IUPAC[4-[4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate
SMILESO=C(Oc1ccc(-c2ccc(OC(=O)c3ccco3)cc2)cc1)c1ccco1
InChIInChI=1S/C22H14O6/c23-21(19-3-1-13-25-19)27-17-9-5-15(6-10-17)16-7-11-18(12-8-16)28-22(24)20-4-2-14-26-20/h1-14H
InChIKeyKUEYRCBSTCNCQW-UHFFFAOYSA-N
MW374.35 g/mol
LogP4.98
Rot. Bonds5

About [4-[4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate

[4-[4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate (PubChem CID 980642) has the molecular formula C22H14O6 and a molecular weight of 374.35 g/mol. Its IUPAC name is [4-[4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[4-[4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate
PubChem CID980642
Molecular FormulaC22H14O6
Molecular Weight374.35 g/mol
Exact Mass374.08
IUPAC Name[4-[4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate
SMILESO=C(Oc1ccc(-c2ccc(OC(=O)c3ccco3)cc2)cc1)c1ccco1
InChIInChI=1S/C22H14O6/c23-21(19-3-1-13-25-19)27-17-9-5-15(6-10-17)16-7-11-18(12-8-16)28-22(24)20-4-2-14-26-20/h1-14H
InChIKeyKUEYRCBSTCNCQW-UHFFFAOYSA-N
XLogP4.98
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 54.98
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 [4-[4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate?
The IUPAC name of [4-[4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate (CID 980642) is [4-[4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate.
What is the SMILES notation for [4-[4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate?
The canonical SMILES for [4-[4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate is O=C(Oc1ccc(-c2ccc(OC(=O)c3ccco3)cc2)cc1)c1ccco1.
What is the InChIKey of [4-[4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate?
The InChIKey is KUEYRCBSTCNCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O6/c23-21(19-3-1-13-25-19)27-17-9-5-15(6-10-17)16-7-11-18(12-8-16)28-22(24)20-4-2-14-26-20/h1-14H.
What are the key properties of [4-[4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate?
[4-[4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate has a molecular weight of 374.35 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate is sourced from PubChem (CID 980642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).