1.0 2010-04-08 22:13:51 UTC 2019-11-26 03:16:28 UTC FDB018665 Diasarone 2 Isolated from rhizomes of Acorus calamus (sweet flag). Diasarone 2 is found in herbs and spices and root vegetables. 1-Ethyl-2,3-dihydro-4,5,7-trimethoxy-2-methyl-3-(2,4,5-trimethoxyphenyl)-1H-indene, 9CI g-Diasarone C24H32O6 416.5073 416.219888756 1-ethyl-4,5,7-trimethoxy-2-methyl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene 1-ethyl-4,5,7-trimethoxy-2-methyl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene 80434-33-9 CCC1C(C)C(C2=C(OC)C(OC)=CC(OC)=C12)C1=C(OC)C=C(OC)C(OC)=C1 InChI=1S/C24H32O6/c1-9-14-13(2)21(15-10-17(26-4)18(27-5)11-16(15)25-3)23-22(14)19(28-6)12-20(29-7)24(23)30-8/h10-14,21H,9H2,1-8H3 ZPOQFZFDKXZAGL-UHFFFAOYSA-N belongs to the class of organic compounds known as indanes. Indanes are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring. Indanes Organic compounds Benzenoids Indanes Aromatic homopolycyclic compounds Alkyl aryl ethers Anisoles Hydrocarbon derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ether Anisole Aromatic homopolycyclic compound Ether Hydrocarbon derivative Indane Methoxybenzene Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound logp 4.90 ALOGPS logs -5.28 ALOGPS solubility 2.20e-03 g/l ALOGPS melting_point Mp 99-100° (84°) logp 4.47 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 1-ethyl-4,5,7-trimethoxy-2-methyl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene ChemAxon average_mass 416.5073 ChemAxon mono_mass 416.219888756 ChemAxon smiles CCC1C(C)C(C2=C(OC)C(OC)=CC(OC)=C12)C1=C(OC)C=C(OC)C(OC)=C1 ChemAxon formula C24H32O6 ChemAxon inchi InChI=1S/C24H32O6/c1-9-14-13(2)21(15-10-17(26-4)18(27-5)11-16(15)25-3)23-22(14)19(28-6)12-20(29-7)24(23)30-8/h10-14,21H,9H2,1-8H3 ChemAxon inchikey ZPOQFZFDKXZAGL-UHFFFAOYSA-N ChemAxon polar_surface_area 55.38 ChemAxon refractivity 116.06 ChemAxon polarizability 45.91 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 6 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 8051 Specdb::MsMs 8052 Specdb::MsMs 8053 Specdb::MsMs 14723 Specdb::MsMs 14724 Specdb::MsMs 14725 Specdb::MsMs 2405948 Specdb::MsMs 2405949 Specdb::MsMs 2405950 Specdb::MsMs 2529495 Specdb::MsMs 2529496 Specdb::MsMs 2529497 Specdb::CMs 19510 Specdb::CMs 131571 Specdb::CMs 139305 HMDB39145 #<Reference:0x000055ce3248aae8> Herbs and Spices Unknown generic Root vegetables Unknown generic