2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as 2,5-diphenylfurans. These are organic heterocyclic compounds that contain a furan ring substituted with a phenyl group only the C2- and C5-positions.

2,5-diphenylfurans

Organic compounds

Organoheterocyclic compounds

Furans

Diphenylfurans

Calculated Property

kind Value Source
logP 3.39 ALOGPS
logS -4 ALOGPS
Water Solubility 3.21e-02 g/l ALOGPS
logP 3.56 ChemAxon
IUPAC Name diphenylfuran-3,4-dicarboxylic acid ChemAxon
Traditional IUPAC Name diphenylfuran-3,4-dicarboxylic acid ChemAxon
Molecular Weight 308.2849 ChemAxon
Monoisotopic Weight 308.068473494 ChemAxon
SMILES OC(=O)C1=C(OC(=C1C(O)=O)C1=CC=CC=C1)C1=CC=CC=C1 ChemAxon
Molecular Formula C18H12O5 ChemAxon
InChI InChI=1S/C18H12O5/c19-17(20)13-14(18(21)22)16(12-9-5-2-6-10-12)23-15(13)11-7-3-1-4-8-11/h1-10H,(H,19,20)(H,21,22) ChemAxon
InChIKey InChIKey=QPKYPOMZPFDBEZ-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 87.74 ChemAxon
Refractivity 83.11 ChemAxon
Polarizability 31.37 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 4.36 ChemAxon
pKa (strongest basic) -5.2 ChemAxon
Physiological Charge -2 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Metallo-beta-lactamase L1 : in Pseudomonas maltophilia