1.0 2010-04-08 22:12:41 UTC 2015-07-20 23:33:25 UTC FDB016853 2-Phenylethyl 2-furancarboxylate Flavouring ingredient 2-Furancarboxylic acid, 2-phenylethyl ester 2-Furanecarboxylic acid, 2-phenylethyl ester 2-Furoic acid, phenethyl ester 2-Phenylethyl 2-furancarboxylate 2-Phenylethyl 2-furoate Beta-phenylethyl furoate FEMA 2865 Phenethyl 2-furoate C13H12O3 216.2326 216.07864425 2-phenylethyl furan-2-carboxylate 2-furoic acid, phenethyl ester 7149-32-8 O=C(OCCC1=CC=CC=C1)C1=CC=CO1 InChI=1S/C13H12O3/c14-13(12-7-4-9-15-12)16-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2 QKPSYARWSBJEDY-UHFFFAOYSA-N belongs to the class of organic compounds known as furoic acid esters. These are ester derivatives of furoic acid. Furoic acid esters Organic compounds Organoheterocyclic compounds Furans Furoic acid and derivatives Aromatic heteromonocyclic compounds Benzene and substituted derivatives Carboxylic acid esters Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Oxacyclic compounds Aromatic heteromonocyclic compound Benzenoid Carboxylic acid derivative Carboxylic acid ester Furoic acid ester Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp 3.03 ALOGPS logs -3.52 ALOGPS solubility 6.48e-02 g/l ALOGPS logp 3.05 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 2-phenylethyl furan-2-carboxylate ChemAxon average_mass 216.2326 ChemAxon mono_mass 216.07864425 ChemAxon smiles O=C(OCCC1=CC=CC=C1)C1=CC=CO1 ChemAxon formula C13H12O3 ChemAxon inchi InChI=1S/C13H12O3/c14-13(12-7-4-9-15-12)16-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2 ChemAxon inchikey QKPSYARWSBJEDY-UHFFFAOYSA-N ChemAxon polar_surface_area 39.44 ChemAxon refractivity 59.84 ChemAxon polarizability 23.02 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9830 Specdb::CMs 29397 Specdb::CMs 101892 Specdb::CMs 159506 Specdb::MsMs 80868 Specdb::MsMs 80869 Specdb::MsMs 80870 Specdb::MsMs 141843 Specdb::MsMs 141844 Specdb::MsMs 141845 Specdb::MsMs 2721507 Specdb::MsMs 2721508 Specdb::MsMs 2721509 Specdb::MsMs 2960694 Specdb::MsMs 2960695 Specdb::MsMs 2960696 HMDB37723 #<Reference:0x000055ce328b6dd8> honey mushroom musty rose