70598888 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 15 8 8 8 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 1 1 2 3 4 5 5 5 6 6 6 7 7 8 8 9 9 10 11 12 12 13 13 14 14 15 15 16 16 17 17 18 19 19 2 3 4 9 13 34 6 7 8 12 20 21 10 22 11 23 10 11 24 25 19 26 14 15 16 27 17 28 18 29 18 30 31 32 33 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 2 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 2 3 4 -1 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 27 28 29 30 31 32 33 34 3.732 2.866 3.732 4.5981 2.866 2.866 3.732 2 2.866 3.732 2 2 4.5981 4.5981 5.4641 5.4641 6.3301 6.3301 2 3.0781 3.4766 4.269 1.4631 4.269 1.4631 1.4631 4.0611 5.4641 5.4641 6.8671 6.8671 1.4631 2.5369 5.135 1.5 1 2.5 1 -2 -3 -1.5 -1.5 -0 -0.5 -0.5 -3.5 3 4 2.5 4.5 3 4 -4.5 -3.5826 -2.8923 -1.81 -1.81 -0.19 -0.19 -3.19 4.31 1.88 5.12 2.69 4.31 -4.81 -4.81 1.31 3 8 8 8 8 8 8 8 8 8 8 8 8 1 5 5 7 8 9 9 13 13 14 15 16 17 4 7 8 10 11 10 11 14 15 16 17 18 18 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 258 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0703002000000000000000000000000000000000000306000000000000000014000001A00000820000C0480980030068000011080022042000002000020200008880006088808262280111280300024C01108880780C0800E20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-allylphenyl) phenyl hydrogen phosphite IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 phenyl (4-prop-2-enylphenyl) hydrogen phosphite IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 phenyl (4-prop-2-enylphenyl) hydrogen phosphite IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 phenyl (4-prop-2-enylphenyl) hydrogen phosphite IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 phenyl (4-prop-2-enylphenyl) hydrogen phosphite IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-allylphenyl) phenyl hydrogen phosphite InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H15O3P/c1-2-6-13-9-11-15(12-10-13)18-19(16)17-14-7-4-3-5-8-14/h2-5,7-12,16H,1,6H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UCRDIUPXLHLAHY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 274.07588133 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H15O3P Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 274.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C=CCC1=CC=C(C=C1)OP(O)OC2=CC=CC=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C=CCC1=CC=C(C=C1)OP(O)OC2=CC=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 38.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 274.07588133 19 1 0 1 0 0 0 0 1 -1