1.0 2010-04-08 22:09:43 UTC 2025-11-18 23:29:26 UTC FDB011598 Fragransol B Constituent of Myristica fragrans (nutmeg). Fragransol B is found in nutmeg and herbs and spices. Fragransol-B C19H22O5 330.375 330.146723814 4-[5-(2-hydroxyethyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol 4-[5-(2-hydroxyethyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol 114394-20-6 COC1=CC(CCO)=CC2=C1OC(C2C)C1=CC(OC)=C(O)C=C1 InChI=1S/C19H22O5/c1-11-14-8-12(6-7-20)9-17(23-3)19(14)24-18(11)13-4-5-15(21)16(10-13)22-2/h4-5,8-11,18,20-21H,6-7H2,1-3H3 NBJKTAQUPAAPLZ-UHFFFAOYSA-N belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. 2-arylbenzofuran flavonoids Organic compounds Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Coumarans Hydrocarbon derivatives Lignans, neolignans and related compounds Methoxybenzenes Methoxyphenols Oxacyclic compounds Phenoxy compounds Primary alcohols 1-hydroxy-2-unsubstituted benzenoid 2-arylbenzofuran flavonoid Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Coumaran Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Neolignan skeleton Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Primary alcohol logp 3.19 ALOGPS logs -4.26 ALOGPS solubility 1.81e-02 g/l ALOGPS logp 2.91 ChemAxon pka_strongest_acidic 9.91 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac 4-[5-(2-hydroxyethyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol ChemAxon average_mass 330.375 ChemAxon mono_mass 330.146723814 ChemAxon smiles COC1=CC(CCO)=CC2=C1OC(C2C)C1=CC(OC)=C(O)C=C1 ChemAxon formula C19H22O5 ChemAxon inchi InChI=1S/C19H22O5/c1-11-14-8-12(6-7-20)9-17(23-3)19(14)24-18(11)13-4-5-15(21)16(10-13)22-2/h4-5,8-11,18,20-21H,6-7H2,1-3H3 ChemAxon inchikey NBJKTAQUPAAPLZ-UHFFFAOYSA-N ChemAxon polar_surface_area 68.15 ChemAxon refractivity 91.06 ChemAxon polarizability 35.8 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23387 Specdb::CMs 43349 Specdb::CMs 133097 Specdb::CMs 140831 Specdb::MsMs 52722 Specdb::MsMs 52723 Specdb::MsMs 52724 Specdb::MsMs 174615 Specdb::MsMs 174616 Specdb::MsMs 174617 Specdb::MsMs 2270053 Specdb::MsMs 2270054 Specdb::MsMs 2270055 Specdb::MsMs 3072387 Specdb::MsMs 3072388 Specdb::MsMs 3072389 HMDB33538 #<Reference:0x000055ce317a4018> Herbs and Spices Unknown generic Nutmeg Type 1 specific Myristica fragrans 51089