1.0 2010-04-08 22:10:35 UTC 2019-11-26 03:08:08 UTC FDB013222 9-(3,4-Dimethoxyphenyl)-2-methoxy-1H-phenalen-1-one Constituent of Musa acuminata (dwarf banana). 9-(3,4-Dimethoxyphenyl)-2-methoxy-1H-phenalen-1-one is found in fruits. 9-(3,4-Dimethoxyphenyl)-2-methoxy-1H-phenalen-1-one C22H18O4 346.3759 346.120509064 9-(3,4-dimethoxyphenyl)-2-methoxy-1H-phenalen-1-one 9-(3,4-dimethoxyphenyl)-2-methoxyphenalen-1-one COC1=CC2=CC=CC3=C2C(C1=O)=C(C=C3)C1=CC(OC)=C(OC)C=C1 InChI=1S/C22H18O4/c1-24-17-10-8-14(11-18(17)25-2)16-9-7-13-5-4-6-15-12-19(26-3)22(23)21(16)20(13)15/h4-12H,1-3H3 HCRUKGWNADTRCE-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylnaphthalenes. Phenylnaphthalenes are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group. Phenylnaphthalenes Organic compounds Benzenoids Naphthalenes Phenylnaphthalenes Aromatic homopolycyclic compounds Alkyl aryl ethers Anisoles Aryl ketones Dimethoxybenzenes Hydrocarbon derivatives Organic oxides Phenalenones Phenoxy compounds Alkyl aryl ether Anisole Aromatic homopolycyclic compound Aryl ketone Dimethoxybenzene Ether Hydrocarbon derivative Ketone Methoxybenzene Monocyclic benzene moiety O-dimethoxybenzene Organic oxide Organic oxygen compound Organooxygen compound Phenalen Phenalen-1-one Phenol ether Phenoxy compound Phenylnaphthalene logp 4.12 ALOGPS logs -5.89 ALOGPS solubility 4.45e-04 g/l ALOGPS logp 3.83 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 9-(3,4-dimethoxyphenyl)-2-methoxy-1H-phenalen-1-one ChemAxon average_mass 346.3759 ChemAxon mono_mass 346.120509064 ChemAxon smiles COC1=CC2=CC=CC3=C2C(C1=O)=C(C=C3)C1=CC(OC)=C(OC)C=C1 ChemAxon formula C22H18O4 ChemAxon inchi InChI=1S/C22H18O4/c1-24-17-10-8-14(11-18(17)25-2)16-9-7-13-5-4-6-15-12-19(26-3)22(23)21(16)20(13)15/h4-12H,1-3H3 ChemAxon inchikey HCRUKGWNADTRCE-UHFFFAOYSA-N ChemAxon polar_surface_area 44.76 ChemAxon refractivity 102.05 ChemAxon polarizability 37.23 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12099 Specdb::CMs 163117 Specdb::MsMs 62436 Specdb::MsMs 62437 Specdb::MsMs 62438 Specdb::MsMs 119160 Specdb::MsMs 119161 Specdb::MsMs 119162 Specdb::MsMs 2661832 Specdb::MsMs 2661833 Specdb::MsMs 2661834 Specdb::MsMs 3020043 Specdb::MsMs 3020044 Specdb::MsMs 3020045 HMDB34692 #<Reference:0x000055ce328a10f0> Fruits Unknown generic