1.0 2010-04-08 22:13:56 UTC 2019-11-26 03:16:41 UTC FDB018787 1-(2H-1,3-Benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl benzoate Constituent of Myristica fragrans (nutmeg). 1-(2H-1,3-Benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl benzoate is found in herbs and spices. 1-(2H-1,3-Benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl benzoate C28H28O7 476.5177 476.18350325 1-(2H-1,3-benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl benzoate 1-(2H-1,3-benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl benzoate COC1=CC(CC=C)=CC(OC)=C1OC(C)C(OC(=O)C1=CC=CC=C1)C1=CC2=C(OCO2)C=C1 InChI=1S/C28H28O7/c1-5-9-19-14-24(30-3)27(25(15-19)31-4)34-18(2)26(35-28(29)20-10-7-6-8-11-20)21-12-13-22-23(16-21)33-17-32-22/h5-8,10-16,18,26H,1,9,17H2,2-4H3 RJWAIUBGAOQMRT-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. Benzoic acid esters Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic heteropolycyclic compounds Acetals Alkyl aryl ethers Anisoles Benzodioxoles Benzoyl derivatives Carboxylic acid esters Dimethoxybenzenes Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Phenoxy compounds Acetal Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzoate ester Benzodioxole Benzoyl Carboxylic acid derivative Carboxylic acid ester Dimethoxybenzene Ether Hydrocarbon derivative M-dimethoxybenzene Methoxybenzene Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound logp 5.70 ALOGPS logs -5.98 ALOGPS solubility 4.96e-04 g/l ALOGPS logp 6.23 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 1-(2H-1,3-benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl benzoate ChemAxon average_mass 476.5177 ChemAxon mono_mass 476.18350325 ChemAxon smiles COC1=CC(CC=C)=CC(OC)=C1OC(C)C(OC(=O)C1=CC=CC=C1)C1=CC2=C(OCO2)C=C1 ChemAxon formula C28H28O7 ChemAxon inchi InChI=1S/C28H28O7/c1-5-9-19-14-24(30-3)27(25(15-19)31-4)34-18(2)26(35-28(29)20-10-7-6-8-11-20)21-12-13-22-23(16-21)33-17-32-22/h5-8,10-16,18,26H,1,9,17H2,2-4H3 ChemAxon inchikey RJWAIUBGAOQMRT-UHFFFAOYSA-N ChemAxon polar_surface_area 72.45 ChemAxon refractivity 130.32 ChemAxon polarizability 50.08 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 6 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18403 Specdb::CMs 146526 Specdb::MsMs 45648 Specdb::MsMs 45649 Specdb::MsMs 45650 Specdb::MsMs 111198 Specdb::MsMs 111199 Specdb::MsMs 111200 Specdb::MsMs 2415307 Specdb::MsMs 2415308 Specdb::MsMs 2415309 Specdb::MsMs 2547437 Specdb::MsMs 2547438 Specdb::MsMs 2547439 HMDB39249 #<Reference:0x000055ce327133c8> Herbs and Spices Unknown generic