8401 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 17 8 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 15 14 3 25 4 5 16 6 7 8 9 10 17 11 18 12 19 13 20 14 21 14 22 15 23 15 24 26 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 1 3 2 4 5 16 3 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 2.866 2 2.866 2.866 3.732 2 3.732 4.5981 3.732 2 3.732 5.4641 4.5981 2.866 5.4641 2.866 1.4631 4.269 4.5981 3.1951 1.4631 4.269 6.001 4.5981 2 6.001 -3 1.5 1 -0 1.5 -0.5 -0.5 1 2.5 -1.5 -1.5 1.5 3 -2 2.5 1.62 -0.19 -0.19 0.38 2.81 -1.81 -1.81 1.19 3.62 2.12 2.81 3 8 8 8 8 8 8 8 8 8 8 8 8 3 4 4 5 5 6 7 8 9 10 11 12 13 2 6 7 8 9 10 11 12 13 14 14 15 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 181 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0702000040000000000000000000000000000000000306000000000000000014000001A02000800000C16A09822300080000200800220420000020000200500088800000A8808362281131080700024C00108980780C0E00E04000000000000000800000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-chlorophenyl)-phenyl-methanol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-chlorophenyl)-phenylmethanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-chlorophenyl)-phenylmethanol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-chlorophenyl)-phenylmethanol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-chlorophenyl)-phenyl-methanol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-chlorophenyl)-phenyl-methanol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H11ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 AJYOOHCNOXWTKJ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 218.0498427 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H11ClO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 218.68 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 20.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 218.0498427 15 1 0 1 0 0 0 0 1 -1