1.0 2010-04-08 22:10:35 UTC 2019-11-26 03:08:08 UTC FDB013220 9-(4-Hydroxyphenyl)-2-methoxy-1H-phenalen-1-one Constituent of Musa acuminata (dwarf banana). 9-(4-Hydroxyphenyl)-2-methoxy-1H-phenalen-1-one is found in fruits. 9-(4-Hydroxyphenyl)-2-methoxy-1H-phenalen-1-one C20H14O3 302.3234 302.094294314 9-(4-hydroxyphenyl)-2-methoxy-1H-phenalen-1-one 9-(4-hydroxyphenyl)-2-methoxyphenalen-1-one COC1=CC2=CC=CC3=C2C(C1=O)=C(C=C3)C1=CC=C(O)C=C1 InChI=1S/C20H14O3/c1-23-17-11-14-4-2-3-13-7-10-16(19(18(13)14)20(17)22)12-5-8-15(21)9-6-12/h2-11,21H,1H3 PXMSSFOVGYLJLV-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 1-hydroxy-2-unsubstituted benzenoids Aryl ketones Benzene and substituted derivatives Hydrocarbon derivatives Organic oxides Phenalenones 1-hydroxy-2-unsubstituted benzenoid Aromatic homopolycyclic compound Aryl ketone Hydrocarbon derivative Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenalen Phenalen-1-one Phenol Phenylnaphthalene logp 4.66 ALOGPS logs -5.27 ALOGPS solubility 1.62e-03 g/l ALOGPS logp 3.84 ChemAxon pka_strongest_acidic 9.32 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 9-(4-hydroxyphenyl)-2-methoxy-1H-phenalen-1-one ChemAxon average_mass 302.3234 ChemAxon mono_mass 302.094294314 ChemAxon smiles COC1=CC2=CC=CC3=C2C(C1=O)=C(C=C3)C1=CC=C(O)C=C1 ChemAxon formula C20H14O3 ChemAxon inchi InChI=1S/C20H14O3/c1-23-17-11-14-4-2-3-13-7-10-16(19(18(13)14)20(17)22)12-5-8-15(21)9-6-12/h2-11,21H,1H3 ChemAxon inchikey PXMSSFOVGYLJLV-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 91.1 ChemAxon polarizability 32.37 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11893 Specdb::CMs 44001 Specdb::CMs 133073 Specdb::CMs 140807 Specdb::MsMs 66270 Specdb::MsMs 66271 Specdb::MsMs 66272 Specdb::MsMs 123795 Specdb::MsMs 123796 Specdb::MsMs 123797 Specdb::MsMs 2831731 Specdb::MsMs 2831732 Specdb::MsMs 2831733 Specdb::MsMs 2847692 Specdb::MsMs 2847693 Specdb::MsMs 2847694 HMDB34690 #<Reference:0x000055ce32276c70> Fruits Unknown generic