4107 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 8 8 8 8 8 7 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 2 2 3 3 4 4 5 6 6 6 7 7 7 8 8 9 9 10 10 11 12 12 13 13 14 14 15 17 17 17 8 10 7 24 9 16 11 17 16 16 31 32 8 9 18 19 20 21 22 11 12 13 14 23 15 25 15 26 27 28 29 30 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 1 7 2 8 9 18 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 4.5981 4.5981 6.3301 2.866 8.0622 7.1962 5.4641 5.4641 6.3301 4.5981 3.732 5.4641 3.732 5.4641 4.5981 7.1962 2 5.4641 5.6762 6.0747 6.5422 6.9407 6.001 4.5981 3.1951 6.001 4.5981 1.69 1.4631 2.31 7.7331 6.6592 -0.905 1.095 2.095 -1.905 2.095 3.595 0.595 -0.405 1.095 -1.905 -2.405 -2.405 -3.405 -3.405 -3.905 2.595 -2.405 1.215 -0.9876 -0.2973 0.5124 1.2027 -2.095 1.715 -3.715 -3.715 -4.525 -1.8681 -2.715 -2.9419 3.905 3.905 3 8 8 8 8 8 8 7 10 10 11 12 13 14 2 11 12 13 14 15 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 236 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0723800000000000000000000000000000000000000300000000000000000010000001E00100800000814A09002320E804006008800204218000208002020000888000688890D362284311A8A3822A5C0110BA8078040000000000000000040000000000000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 carbamic acid [2-hydroxy-3-(2-methoxyphenoxy)propyl] ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [3-(2-methoxyphenoxy)-2-oxidanyl-propyl] carbamate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 carbamic acid [2-hydroxy-3-(2-methoxyphenoxy)propyl] ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GNXFOGHNGIVQEH-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 241.09502258 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H15NO5 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 241.24 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=CC=C1OCC(COC(=O)N)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=CC=C1OCC(COC(=O)N)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 91 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 241.09502258 17 1 0 1 0 0 0 0 1 2