1.0 2026-09-21 21:04:38 UTC 2026-09-21 21:04:38 UTC FDB117098 senkyunolide B (3Z)-3-butylidene-7-hydroxy-2-benzofuran-1-one (3Z)-3-butylidene-7-hydroxy-isobenzofuran-1-one C12H12O3 204.225 204.078644246 (3E)-3-butylidene-7-hydroxy-1,3-dihydro-2-benzofuran-1-one (3E)-3-butylidene-7-hydroxy-2-benzofuran-1-one [H]\C(CCC)=C1/OC(=O)C2=C1C=CC=C2O InChI=1S/C12H12O3/c1-2-3-7-10-8-5-4-6-9(13)11(8)12(14)15-10/h4-7,13H,2-3H2,1H3/b10-7+ XLFDJKJEYMKLJX-JXMROGBWSA-N belongs to the class of organic compounds known as isobenzofuranones. Isobenzofuranones are compounds containing a 2-benzofuran moiety that carries an oxo group at the 1 position. Isobenzofuranones Organic compounds Organoheterocyclic compounds Isocoumarans Isobenzofuranones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Enol esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Oxacyclic compounds Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic heteropolycyclic compound Benzenoid Carboxylic acid derivative Carboxylic acid ester Enol ester Hydrocarbon derivative Isobenzofuranone Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Vinylogous acid logp 3.69 ALOGPS logs -2.62 ALOGPS solubility 4.88e-01 g/l ALOGPS logp 3.37 ChemAxon pka_strongest_acidic 9.37 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac (3E)-3-butylidene-7-hydroxy-1,3-dihydro-2-benzofuran-1-one ChemAxon average_mass 204.225 ChemAxon mono_mass 204.078644246 ChemAxon smiles [H]\C(CCC)=C1/OC(=O)C2=C1C=CC=C2O ChemAxon formula C12H12O3 ChemAxon inchi InChI=1S/C12H12O3/c1-2-3-7-10-8-5-4-6-9(13)11(8)12(14)15-10/h4-7,13H,2-3H2,1H3/b10-7+ ChemAxon inchikey XLFDJKJEYMKLJX-JXMROGBWSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 58.26 ChemAxon polarizability 21.32 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 96817 Specdb::MsMs 1082678 Specdb::MsMs 1082679 Specdb::MsMs 1082680 Specdb::MsMs 1205132 Specdb::MsMs 1205133 Specdb::MsMs 1205134