9898975 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 28 29 8 6 6 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 2 2 2 2 3 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 3 24 3 4 8 14 5 15 6 16 17 7 18 19 7 20 21 22 23 9 10 11 25 12 26 13 27 13 28 29 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 2 3 8 4 14 2 1 3 1 5 2 15 2 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 28 29 2.5369 4.269 3.403 5.135 3.403 5.135 4.269 4.269 5.135 3.403 5.135 3.403 4.269 4.8059 3.403 5.7456 5.3471 2.7924 3.1909 5.3471 5.7456 3.8705 4.6675 2 5.672 2.866 5.672 2.866 4.269 -0.5 -0.5 -1 -1 -2 -2 -2.5 0.5 1 1 2 2 2.5 -0.19 -0.38 -1.1077 -0.4174 -1.8923 -2.5826 -2.5826 -1.8923 -2.975 -2.975 -0.81 0.69 0.69 2.31 2.31 3.12 5 6 8 8 8 8 8 8 2 3 8 8 9 10 11 12 8 1 9 10 11 12 13 13 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 149 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 1 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 00000371E0702000000000000000000000000000000000000000306000000000000000010000001A00000800000D14A0980230008000020080022042000002000020000008880000008808302280111080600024C00108880780C0E00E80000000000000000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1S,2R)-2-phenylcyclohexanol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1S,2R)-2-phenyl-1-cyclohexanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1<I>S</I>,2<I>R</I>)-2-phenylcyclohexan-1-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1S,2R)-2-phenylcyclohexan-1-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1S,2R)-2-phenylcyclohexan-1-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1S,2R)-2-phenylcyclohexanol InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2/t11-,12+/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 AAIBYZBZXNWTPP-NEPJUHHUSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 176.120115130 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C12H16O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 176.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC(C(C1)C2=CC=CC=C2)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC[C@@H]([C@H](C1)C2=CC=CC=C2)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 20.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 176.120115130 13 2 2 0 0 0 0 0 1 -1