70489366 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 3 4 5 5 5 6 6 7 8 9 9 10 11 11 11 12 13 13 14 14 14 15 15 15 6 11 7 15 13 29 12 7 8 12 8 9 10 16 10 17 18 13 19 20 14 21 22 23 24 25 26 27 28 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 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 6.3301 2.866 7.1962 3.732 4.5981 5.4641 3.732 5.4641 4.5981 3.732 6.3301 4.5981 7.1962 5.4641 2 6.001 4.5981 3.1951 5.7196 6.1181 7.8067 7.4082 5.7741 6.001 5.1541 1.69 1.4631 2.31 7.7331 -0.345 1.655 -2.845 3.155 1.655 0.155 1.155 1.155 -0.345 0.155 -1.345 2.655 -1.845 3.155 1.155 1.465 -0.965 -0.155 -1.2373 -1.9276 -1.9527 -1.2624 2.6181 3.465 3.6919 1.6919 0.845 0.6181 -3.155 8 8 8 8 8 8 5 5 6 6 7 9 7 8 8 9 10 10 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 205 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703800000000000000000000000000000000000000300000000000000000010000001A00000800000C04A098023206800006008802A05200000208002420000888010608C80D363684351A823960A4E0110BA987CAC8B08E01000100000800000200020000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[5-(2-hydroxyethoxy)-2-methoxy-phenyl]ethanone IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[5-(2-hydroxyethoxy)-2-methoxyphenyl]ethanone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[5-(2-hydroxyethoxy)-2-methoxyphenyl]ethanone IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[5-(2-hydroxyethoxy)-2-methoxyphenyl]ethanone IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[5-(2-hydroxyethyloxy)-2-methoxy-phenyl]ethanone IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[5-(2-hydroxyethoxy)-2-methoxy-phenyl]ethanone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H14O4/c1-8(13)10-7-9(15-6-5-12)3-4-11(10)14-2/h3-4,7,12H,5-6H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YBVBFZIJHDEWJG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.9 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 CC(=O)C1=C(C=CC(=C1)OCCO)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)C1=C(C=CC(=C1)OCCO)OC 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