1.0 2010-04-08 22:15:14 UTC 2019-11-26 03:19:23 UTC FDB020742 Coixinden B Constituent of Coix lacrima-jobi variety ma-yuen. Coixinden B is found in tea, alcoholic beverages, and coffee and coffee products. 1-Acetyl-1-hydroxy-3,5-dimethoxy-1H-indene Coixinden B C13H14O4 234.2479 234.089208936 1-(1-hydroxy-3,5-dimethoxy-1H-inden-1-yl)ethan-1-one 1-(1-hydroxy-3,5-dimethoxyinden-1-yl)ethanone 151466-74-9 COC1=CC(O)(C(C)=O)C2=C1C=C(OC)C=C2 InChI=1S/C13H14O4/c1-8(14)13(15)7-12(17-3)10-6-9(16-2)4-5-11(10)13/h4-7,15H,1-3H3 BIUULCNWWFDCPG-UHFFFAOYSA-N belongs to the class of organic compounds known as indenes and isoindenes. Indenes and isoindenes are compounds containing an indene moiety(which consists of a cyclopentadiene fused to a benzene ring), or a isoindene moiety (which consists of a cyclopentadiene fused to cyclohexadiene ring). Indenes and isoindenes Organic compounds Benzenoids Indenes and isoindenes Aromatic homopolycyclic compounds Alkyl aryl ethers Alpha-hydroxy ketones Anisoles Hydrocarbon derivatives Organic oxides Tertiary alcohols Alcohol Alkyl aryl ether Alpha-hydroxy ketone Anisole Aromatic homopolycyclic compound Carbonyl group Ether Hydrocarbon derivative Indene Ketone Organic oxide Organic oxygen compound Organooxygen compound Tertiary alcohol indene logp 1.19 ALOGPS logs -2.55 ALOGPS solubility 6.64e-01 g/l ALOGPS logp 0.86 ChemAxon pka_strongest_acidic 11.77 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 1-(1-hydroxy-3,5-dimethoxy-1H-inden-1-yl)ethan-1-one ChemAxon average_mass 234.2479 ChemAxon mono_mass 234.089208936 ChemAxon smiles COC1=CC(O)(C(C)=O)C2=C1C=C(OC)C=C2 ChemAxon formula C13H14O4 ChemAxon inchi InChI=1S/C13H14O4/c1-8(14)13(15)7-12(17-3)10-6-9(16-2)4-5-11(10)13/h4-7,15H,1-3H3 ChemAxon inchikey BIUULCNWWFDCPG-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 64.2 ChemAxon polarizability 24.22 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11858 Specdb::CMs 47024 Specdb::CMs 173843 Specdb::MsMs 11138 Specdb::MsMs 11139 Specdb::MsMs 11140 Specdb::MsMs 17810 Specdb::MsMs 17811 Specdb::MsMs 17812 Specdb::MsMs 2673847 Specdb::MsMs 2673848 Specdb::MsMs 2673849 Specdb::MsMs 3032204 Specdb::MsMs 3032205 Specdb::MsMs 3032206 HMDB40906 #<Reference:0x000055ce32db3598> Alcoholic beverages Unknown generic Arabica coffee Type 1 specific Coffea arabica 13443 Black tea Type 1 Coffee and coffee products Unknown generic Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Robusta coffee Type 1 specific Coffea canephora 49390 Tea Type 1 specific Camellia sinensis 4442