1.0 2010-04-08 22:06:40 UTC 2025-11-18 22:59:08 UTC FDB005401 Aucaparin Aucuparin, also known as 3,5-dimethoxy-(1,1'-biphenyl)-4-ol or 2,6-dimethoxy-4-phenylphenol, belongs to biphenyls and derivatives class of compounds. Those are organic compounds containing to benzene rings linked together by a C-C bond. Aucuparin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Aucuparin can be found in loquat and rowanberry, which makes aucuparin a potential biomarker for the consumption of these food products. C14H14O3 230.2592 230.094294314 2,6-dimethoxy-4-phenylphenol aucuparin 3687-28-3 COC1=CC(=CC(OC)=C1O)C1=CC=CC=C1 InChI=1S/C14H14O3/c1-16-12-8-11(9-13(17-2)14(12)15)10-6-4-3-5-7-10/h3-9,15H,1-2H3 KCKBEANTNJGRCV-UHFFFAOYSA-N belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. Biphenyls and derivatives Organic compounds Benzenoids Benzene and substituted derivatives Biphenyls and derivatives Aromatic homomonocyclic compounds Alkyl aryl ethers Anisoles Dimethoxybenzenes Hydrocarbon derivatives Methoxyphenols Phenoxy compounds Alkyl aryl ether Anisole Aromatic homomonocyclic compound Biphenyl Dimethoxybenzene Ether Hydrocarbon derivative M-dimethoxybenzene Methoxybenzene Methoxyphenol Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound biphenyls logp 3.27 ALOGPS logs -3.54 ALOGPS solubility 6.62e-02 g/l ALOGPS logp 3 ChemAxon pka_strongest_acidic 9.31 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 2,6-dimethoxy-4-phenylphenol ChemAxon average_mass 230.2592 ChemAxon mono_mass 230.094294314 ChemAxon smiles COC1=CC(=CC(OC)=C1O)C1=CC=CC=C1 ChemAxon formula C14H14O3 ChemAxon inchi InChI=1S/C14H14O3/c1-16-12-8-11(9-13(17-2)14(12)15)10-6-4-3-5-7-10/h3-9,15H,1-2H3 ChemAxon inchikey KCKBEANTNJGRCV-UHFFFAOYSA-N ChemAxon polar_surface_area 38.69 ChemAxon refractivity 66.1 ChemAxon polarizability 24.86 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 60654 Specdb::MsMs 60655 Specdb::MsMs 60656 Specdb::MsMs 117015 Specdb::MsMs 117016 Specdb::MsMs 117017 Specdb::MsMs 3601745 Specdb::MsMs 3601746 Specdb::MsMs 3601747 Specdb::MsMs 3601748 Specdb::MsMs 3601749 Specdb::MsMs 3601750 Loquat Type 1 specific Eriobotrya japonica 32224