1.0 2020-03-10 17:01:21 UTC 2020-04-22 18:56:07 UTC BMDB0096109 BMDB96109 4-(1,1,3,3-Tetramethylbutyl)-phenol 4-t-Octylphenol 4-(1,1,3,3-Tetramethylbutyl)phenol p-(1,1,3,3-Tetramethylbutyl)-phenol p-Tert-octylphenol 4-Tertiary-octylphenol 4-(1,1,3,3-Tetramethylbutyl)phenol (acd/name 4.0) Octylphenol PT P-(1',1',3', 3'-Tetramethylbutyl)phenol P-(1',1',3',3'-Tetramethylbutyl)phenol P-(1,1,3,3-Tetramethylbutyl)phenol P-(Tert-octyl)-phenol P-Octylphenol P-Terc.oktylfenol Para-tert-octylphenol Tert-octylphenol, flaked alpha-(p-(1,1,3,3-Tetramethylbutyl)phenyl)-omega-hydroxypoly(oxyethylene) a-(p-(1,1,3,3-Tetramethylbutyl)phenyl)-omega-hydroxypoly(oxyethylene) Α-(p-(1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxypoly(oxyethylene) C14H22O 206.3239 206.167065326 4-(2,4,4-trimethylpentan-2-yl)phenol 4-tert-octylphenol 140-66-9 CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1 InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3 ISAVYTVYFVQUDY-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. Organic compounds Benzenoids Benzene and substituted derivatives Phenylpropanes Phenylpropanes 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives Organooxygen compounds 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Phenol Phenylpropane Aromatic homomonocyclic compounds alkylbenzene logp 5.29 ALOGPS logs -3.90 ALOGPS logp 4.69 ChemAxon pka_strongest_acidic 10.23 ChemAxon pka_strongest_basic -5.4 ChemAxon iupac 4-(2,4,4-trimethylpentan-2-yl)phenol ChemAxon average_mass 206.3239 ChemAxon mono_mass 206.167065326 ChemAxon smiles CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1 ChemAxon formula C14H22O ChemAxon inchi InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3 ChemAxon inchikey ISAVYTVYFVQUDY-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 64.93 ChemAxon polarizability 24.96 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::EiMs 878 Specdb::MsMs 49827 Specdb::MsMs 49828 Specdb::MsMs 49829 Specdb::MsMs 125676 Specdb::MsMs 125677 Specdb::MsMs 125678 Specdb::MsMs 2245031 Specdb::MsMs 2245062 Specdb::MsMs 2247205 Specdb::MsMs 2249075 Specdb::MsMs 2249297 Specdb::MsMs 2251128 Specdb::MsMs 2251289 Specdb::MsMs 2744631 Specdb::MsMs 2744632 Specdb::MsMs 2744633 Specdb::MsMs 2936905 Specdb::MsMs 2936906 Specdb::MsMs 2936907 Specdb::CMs 12959 Specdb::CMs 40185 Specdb::CMs 162792 Specdb::NmrOneD 2240 Specdb::NmrOneD 2935 Specdb::MsIr 2968 Specdb::MsIr 2969 Specdb::MsIr 2970 FDB010381 8483 8814 27L C14205