1.0 2010-04-08 22:14:28 UTC 2018-05-29 01:42:56 UTC FDB019619 4-(Ethoxymethyl)phenol Constituent of Vanilla fragrans (vanilla) 4-(Ethoxymethyl)-phenol 4-(Ethoxymethyl)phenol 4-ethoxymethylphenol 4-Hydroxybenzyl ethyl ether Alpha-ethoxy-p-cresol P-hydroxybenzyl ethyl ether Phenol, 4-(ethoxymethyl)- C9H12O2 152.1904 152.083729628 4-(ethoxymethyl)phenol 4-(ethoxymethyl)phenol 57726-26-8 CCOCC1=CC=C(O)C=C1 InChI=1S/C9H12O2/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6,10H,2,7H2,1H3 UWQZVUQKBWZNLN-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 1.85 ALOGPS logs -1.52 ALOGPS solubility 4.57e+00 g/l ALOGPS logp 1.9 ChemAxon pka_strongest_acidic 9.48 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 4-(ethoxymethyl)phenol ChemAxon average_mass 152.1904 ChemAxon mono_mass 152.083729628 ChemAxon smiles CCOCC1=CC=C(O)C=C1 ChemAxon formula C9H12O2 ChemAxon inchi InChI=1S/C9H12O2/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6,10H,2,7H2,1H3 ChemAxon inchikey UWQZVUQKBWZNLN-UHFFFAOYSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 44.35 ChemAxon polarizability 17.07 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16072 Specdb::CMs 46656 Specdb::CMs 174571 Specdb::MsIr 8406 Specdb::MsIr 8407 Specdb::MsIr 8408 Specdb::NmrOneD 37302 Specdb::NmrOneD 37303 Specdb::NmrOneD 37304 Specdb::NmrOneD 37305 Specdb::NmrOneD 37306 Specdb::NmrOneD 37307 Specdb::NmrOneD 37308 Specdb::NmrOneD 37309 Specdb::NmrOneD 37310 Specdb::NmrOneD 37311 Specdb::NmrOneD 37312 Specdb::NmrOneD 37313 Specdb::NmrOneD 37314 Specdb::NmrOneD 37315 Specdb::NmrOneD 37316 Specdb::NmrOneD 37317 Specdb::NmrOneD 37318 Specdb::NmrOneD 37319 Specdb::NmrOneD 37320 Specdb::NmrOneD 37321 Specdb::MsMs 10925 Specdb::MsMs 10926 Specdb::MsMs 10927 Specdb::MsMs 17597 Specdb::MsMs 17598 Specdb::MsMs 17599 Specdb::MsMs 2724557 Specdb::MsMs 2724558 Specdb::MsMs 2724559 Specdb::MsMs 2956992 Specdb::MsMs 2956993 Specdb::MsMs 2956994 HMDB39956 #<Reference:0x000055ce31c51818>