70489367 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 8 8 8 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 4 4 5 5 5 6 6 7 8 8 9 10 10 11 11 11 12 13 13 14 14 15 15 15 6 11 13 15 9 14 29 7 8 9 7 10 16 12 17 13 12 18 14 19 20 21 22 23 24 25 26 27 28 1 1 1 1 2 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 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 3.403 6.001 4.269 2.5369 5.135 4.269 4.269 6.001 5.135 5.135 3.403 6.001 6.001 2.5369 6.8671 3.732 6.538 5.135 3.615 4.0135 6.538 6.2131 6.6116 2.3249 1.9264 7.1771 7.404 6.5571 2 -1.095 3.405 2.405 -3.595 0.905 -0.595 0.405 0.405 1.905 -1.095 -2.095 -0.595 2.405 -2.595 3.905 0.715 0.715 -1.715 -2.6776 -1.9873 -0.905 1.8224 2.5127 -2.0124 -2.7027 3.3681 4.215 4.4419 -3.905 8 8 8 8 8 8 5 5 6 6 8 10 7 8 7 10 12 12 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 193 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703800000000000000000000000000000000000000300000000000000000010000001A00000800000C04A098023206800006008802A05200020208002420000888014608C80D363284351E823920A4C0110BA9878AE8BC8E00000100000000000000020000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[3-(2-hydroxyethoxy)phenyl]-2-methoxy-ethanone IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[3-(2-hydroxyethoxy)phenyl]-2-methoxyethanone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[3-(2-hydroxyethoxy)phenyl]-2-methoxyethanone IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[3-(2-hydroxyethoxy)phenyl]-2-methoxyethanone IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[3-(2-hydroxyethyloxy)phenyl]-2-methoxy-ethanone IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[3-(2-hydroxyethoxy)phenyl]-2-methoxy-ethanone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H14O4/c1-14-8-11(13)9-3-2-4-10(7-9)15-6-5-12/h2-4,7,12H,5-6,8H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VHCYXDDBBYKIHV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 210.08920892 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H14O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 210.23 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COCC(=O)C1=CC(=CC=C1)OCCO SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COCC(=O)C1=CC(=CC=C1)OCCO Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 55.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 210.08920892 15 0 0 0 0 0 0 0 1 -1