69334704 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 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 4 4 4 5 5 6 7 7 8 8 9 9 10 10 11 11 12 13 13 14 14 16 16 16 16 18 18 18 6 17 15 32 17 5 6 7 8 9 10 11 19 13 20 14 21 12 22 12 23 24 15 25 15 26 17 18 27 28 29 30 31 1 1 1 1 2 1 1 2 2 1 2 1 1 1 1 2 1 1 1 2 1 1 2 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 30 31 32 4.5981 6.3301 3.732 6.3301 6.3301 5.4641 7.1962 5.4641 7.1962 5.4641 7.1962 6.3301 5.4641 7.1962 6.3301 2.866 3.732 2 7.7331 4.9272 7.7331 4.9272 7.7331 6.3301 4.9272 7.7331 3.2646 2.4675 1.69 1.4631 2.31 6.8671 -1.155 2.845 -2.655 -1.155 -0.155 -1.655 -1.655 0.345 0.345 -2.655 -2.655 -3.155 1.345 1.345 1.845 -1.155 -1.655 -1.655 -1.345 0.035 0.035 -2.965 -2.965 -3.775 1.655 1.655 -0.6801 -0.6801 -1.1181 -1.965 -2.1919 3.155 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 7 8 9 10 11 13 14 6 7 8 9 10 11 13 14 12 12 15 15 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 269 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703000000000000000000000000000000000000000306000000000000000014000001A00000800000C04809800320E80000600880220D208000208002020000888010608880C262286311A827A20A4C01108B80780C0F00EA0000000000800004000000000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-(4-hydroxyphenyl)phenyl] propanoate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 propanoic acid [2-(4-hydroxyphenyl)phenyl] ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-(4-hydroxyphenyl)phenyl] propanoate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-(4-hydroxyphenyl)phenyl] propanoate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-(4-hydroxyphenyl)phenyl] propanoate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 propionic acid [2-(4-hydroxyphenyl)phenyl] ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H14O3/c1-2-15(17)18-14-6-4-3-5-13(14)11-7-9-12(16)10-8-11/h3-10,16H,2H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GRLBIHCTFNZKPG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 242.094294304 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H14O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 242.27 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC(=O)OC1=CC=CC=C1C2=CC=C(C=C2)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCC(=O)OC1=CC=CC=C1C2=CC=C(C=C2)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 46.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 242.094294304 18 0 0 0 0 0 0 0 1 -1