59922645 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 8 8 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 3 4 4 5 5 5 6 6 6 7 7 7 8 9 9 10 10 11 12 8 25 26 11 27 4 5 6 7 8 9 13 14 15 16 17 18 19 20 21 10 11 22 12 23 12 24 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 2.5369 6.001 4.269 4.269 4.269 5.269 3.269 3.403 5.135 3.403 5.135 4.269 4.889 4.269 3.649 5.269 5.889 5.269 3.269 2.649 3.269 5.672 2.866 4.269 2 2.5369 6.001 0.31 -1.69 1.31 0.31 2.31 1.31 1.31 -0.19 -0.19 -1.19 -1.19 -1.69 2.31 2.93 2.31 0.69 1.31 1.93 1.93 1.31 0.69 0.12 -1.5 -2.31 0 0.93 -2.31 8 8 8 8 8 8 4 4 8 9 10 11 8 9 10 11 12 12 1 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 148 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0703000000000000000000000000000000000000000300000000000000000010000001A00000800000E0480980032068000020080022042000002000020200008880006088808262282111280700024C011089807C0C0F00F81000100000800000200020000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-tert-butyl-4-hydroxy-phenyl)oxonium IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-tert-butyl-4-hydroxyphenyl)oxonium IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-<I>tert</I>-butyl-4-hydroxyphenyl)oxidanium IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-tert-butyl-4-hydroxyphenyl)oxidanium IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-tert-butyl-4-oxidanyl-phenyl)oxidanium IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-tert-butyl-4-hydroxy-phenyl)oxonium InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3/p+1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BGNXCDMCOKJUMV-UHFFFAOYSA-O Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 167.107204717 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C10H15O2+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 167.22 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)(C)C1=C(C=CC(=C1)O)[OH2+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)(C)C1=C(C=CC(=C1)O)[OH2+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 21.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 167.107204717 12 0 0 0 0 0 0 0 1 -1