5351344 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 37 38 39 40 41 42 43 8 8 8 8 8 6 6 6 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 1 1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 6 7 7 8 9 10 11 12 12 13 13 13 14 15 15 16 16 17 18 19 20 20 20 21 21 21 22 22 22 23 23 23 7 20 8 21 9 22 18 23 17 40 10 11 12 8 9 10 11 24 25 14 26 14 15 16 27 17 28 19 29 18 19 30 31 32 33 34 35 36 37 38 39 41 42 43 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12 6 26 14 13 27 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 33 34 35 36 37 38 39 40 41 42 43 4.5981 6.3301 2.866 8.9282 8.9282 4.5981 4.5981 5.4641 3.732 5.4641 3.732 4.5981 6.3301 5.4641 7.1962 6.3301 8.0622 8.0622 7.1962 3.732 7.1962 2 8.9282 6.001 3.1951 4.0611 5.4641 7.1962 5.7932 7.1962 3.422 3.1951 4.042 7.5062 7.7331 6.8862 2.31 1.4631 1.69 9.4651 8.3082 8.9282 9.5482 -2.31 -1.31 -1.31 0.19 2.19 0.69 -1.31 -0.81 -0.81 0.19 0.19 1.69 1.69 2.19 2.19 0.69 1.69 0.69 0.19 -2.81 -0.81 -0.81 -0.81 0.5 0.5 2 2.81 2.81 0.38 -0.43 -2.2731 -3.12 -3.3469 -1.3469 -0.5 -0.2731 -0.2731 -0.5 -1.3469 1.88 -0.81 -1.43 -0.81 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 8 9 13 13 15 16 17 18 10 11 8 9 10 11 15 16 17 19 18 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 358 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0783800000000000000000000000000000000000000306000000000000000014000001A00000800000C048098023206800006008002204200000208002020000888000688880D272286311A80702325C0150BB80780E01C0E20000108000040004000021000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)vinyl]phenol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-methoxy-5-[(<I>Z</I>)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)vinyl]phenol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5- InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HVXBOLULGPECHP-WAYWQWQTSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 316.13107373 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H20O5 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 316.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 57.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 316.13107373 23 0 0 0 1 1 0 0 1 -1