11762 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 30 31 32 33 34 35 36 8 8 6 6 6 6 6 6 6 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 1 1 1 1 2 2 3 3 3 4 4 5 5 6 6 7 7 8 8 9 10 11 11 12 12 13 13 14 14 15 16 17 17 18 18 19 19 20 20 21 22 9 35 10 36 4 5 9 6 10 7 11 8 12 13 17 14 18 15 16 19 23 20 24 15 25 16 26 27 28 21 29 22 30 21 31 22 32 33 34 1 1 1 1 1 1 2 1 2 1 2 1 2 1 2 1 2 1 1 1 1 1 1 2 1 2 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 28 29 30 31 32 33 34 35 36 2.934 6.3981 4.666 4.666 5.5321 3.8 5.5321 3.8 3.8 5.5321 6.426 2.9061 4.666 4.666 3.8 5.5321 6.426 2.9061 7.3321 2 7.3321 2 6.4188 2.9132 4.666 4.666 3.2631 6.069 6.4188 2.9132 7.8678 1.4643 7.8678 1.4643 2.397 6.935 0.5 -0.5 0.5 -0.5 1 -1 2 -2 1 -1 0.4653 -0.4653 2.5 -2.5 2 -2 2.5347 -2.5347 0.9792 -0.9792 2.0208 -2.0208 -0.1546 0.1546 3.12 -3.12 2.31 -2.31 3.1546 -3.1546 0.6671 -0.6671 2.3329 -2.3329 0.81 -0.81 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 5 6 6 7 7 8 8 9 10 11 12 13 14 17 18 19 20 5 9 6 10 7 11 8 12 13 17 14 18 15 16 19 20 15 16 21 22 21 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 346 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07830000000000000000000000000000000000000003060C1800000000000C15400001A00000800000C048098003006C000020080022042000002000020200008880006088808262282111280700024C011089807C0C0F00EA0000300001800004000060000300000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(2-hydroxy-1-naphthyl)naphthalen-2-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(2-hydroxy-1-naphthalenyl)-2-naphthalenol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(2-oxidanylnaphthalen-1-yl)naphthalen-2-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(2-hydroxy-1-naphthyl)-2-naphthol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H14O2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PPTXVXKCQZKFBN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 286.099379685 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H14O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 286.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 40.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 286.099379685 22 0 0 0 0 0 0 0 1 -1