65742 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 35 36 8 8 8 7 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 1 1 1 2 2 3 3 4 4 4 5 5 5 6 6 7 7 7 8 8 8 9 10 10 10 11 12 12 13 13 13 14 16 16 16 17 17 17 11 30 14 16 15 17 5 7 13 6 10 18 9 11 8 19 20 9 21 22 12 23 24 25 14 15 26 27 28 29 15 31 32 33 34 35 36 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 5 4 6 10 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 33 34 35 36 4.5981 2.866 2.866 7.2641 6.358 5.4641 7.2641 6.358 5.4641 6.3465 4.5981 4.5981 8.1282 3.732 3.732 2 2.866 6.892 7.875 7.4732 6.7517 5.9534 5.7265 6.3393 6.9664 4.5981 7.8161 8.6639 8.4403 4.0611 2.31 1.4631 1.69 3.486 2.866 2.246 -1.845 -0.845 1.155 -0.3658 -0.8797 -0.345 0.6758 1.1897 0.655 -1.8796 -0.845 1.155 -0.8692 -0.345 0.655 -0.345 2.155 -1.1948 0.5697 1.2595 1.6687 1.6594 -1.8724 -2.4996 -1.8868 1.775 -1.4049 -1.1812 -0.3334 -2.155 0.1919 -0.035 -0.8819 2.155 2.775 2.155 3 8 8 8 8 8 8 5 6 6 9 11 12 14 10 9 11 12 14 15 15 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 261 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07230000000000000000000000000000000000000003C4000000000000000B10000001E00000800000C2CC198063206830006008002204200008208002020000088000E8C880D272286B11B84702B67C0158BB807B0F0BF0EA0000108001840004000021000308000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1<I>H</I>-isoquinolin-8-ol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C13H19NO3/c1-8-11-9(5-6-14(8)2)7-10(16-3)13(17-4)12(11)15/h7-8,15H,5-6H2,1-4H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 NKHMWHLJHODBEP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 237.13649347 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C13H19NO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 237.29 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1C2=C(C(=C(C=C2CCN1C)OC)OC)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1C2=C(C(=C(C=C2CCN1C)OC)OC)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 41.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 237.13649347 17 1 0 1 0 0 0 0 1 -1