1.0 2010-04-08 22:14:28 UTC 2018-05-29 01:42:56 UTC FDB019620 4-(Butoxymethyl)phenol Constituent of the leaves and stems of Vanilla fragrans (vanilla) 4-(Butoxymethyl)phenol C11H16O2 180.2435 180.115029756 4-(butoxymethyl)phenol 4-(butoxymethyl)phenol 57726-27-9 CCCCOCC1=CC=C(O)C=C1 InChI=1S/C11H16O2/c1-2-3-8-13-9-10-4-6-11(12)7-5-10/h4-7,12H,2-3,8-9H2,1H3 GGPCJIKQXDNJJY-UHFFFAOYSA-N belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene). Benzylethers Organic compounds Benzenoids Benzene and substituted derivatives Benzylethers Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Dialkyl ethers Hydrocarbon derivatives 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Benzylether Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Phenol logp 2.90 ALOGPS logs -2.64 ALOGPS solubility 4.14e-01 g/l ALOGPS logp 2.87 ChemAxon pka_strongest_acidic 9.48 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 4-(butoxymethyl)phenol ChemAxon average_mass 180.2435 ChemAxon mono_mass 180.115029756 ChemAxon smiles CCCCOCC1=CC=C(O)C=C1 ChemAxon formula C11H16O2 ChemAxon inchi InChI=1S/C11H16O2/c1-2-3-8-13-9-10-4-6-11(12)7-5-10/h4-7,12H,2-3,8-9H2,1H3 ChemAxon inchikey GGPCJIKQXDNJJY-UHFFFAOYSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 53.48 ChemAxon polarizability 21.25 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18885 Specdb::CMs 46657 Specdb::CMs 130992 Specdb::CMs 138726 Specdb::MsIr 8409 Specdb::MsIr 8410 Specdb::MsIr 8411 Specdb::MsMs 43275 Specdb::MsMs 43276 Specdb::MsMs 43277 Specdb::MsMs 132429 Specdb::MsMs 132430 Specdb::MsMs 132431 Specdb::MsMs 2475338 Specdb::MsMs 2475339 Specdb::MsMs 2475340 Specdb::MsMs 2491058 Specdb::MsMs 2491059 Specdb::MsMs 2491060 HMDB39957 #<Reference:0x000055ce3335c0d0>