5281727 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 8 8 8 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 2 2 3 3 4 4 4 5 5 6 6 7 8 9 9 10 10 10 11 12 13 13 14 14 15 15 16 16 18 18 18 19 19 19 7 18 8 19 17 35 5 6 9 8 20 7 21 11 11 12 22 12 13 14 23 24 15 25 16 26 17 27 17 28 29 30 31 32 33 34 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 2 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 9 4 22 12 24 10 2 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 5.4641 2 4.5981 3.732 2.866 4.5981 4.5981 2.866 3.732 4.5981 3.732 4.5981 3.732 5.4641 3.732 5.4641 4.5981 5.4641 2 2.3291 5.135 3.1951 3.732 5.135 3.1951 6.001 3.1951 6.001 4.8441 5.4641 6.0841 1.38 2 2.62 5.135 -3.405 -3.405 4.095 -1.405 -1.905 -1.905 -2.905 -2.905 -0.405 1.095 -3.405 0.095 1.595 1.595 2.595 2.595 3.095 -4.405 -4.405 -1.595 -1.595 -0.095 -4.025 -0.215 1.285 1.285 2.905 2.905 -4.405 -5.025 -4.405 -4.405 -5.025 -4.405 4.405 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 6 7 8 10 10 13 14 15 16 5 6 8 7 11 11 13 14 15 16 17 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 270 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0783000000000000000000000000000000000000000306000000000000000014000001A00000800000C048098023206800006008002204200000208002020000888000608880C272286311A80702025C01508B80780E01C0E20000108000000004000021000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[(E)-2-(3,5-dimethoxyphenyl)vinyl]phenol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[(<I>E</I>)-2-(3,5-dimethoxyphenyl)ethenyl]phenol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[(E)-2-(3,5-dimethoxyphenyl)vinyl]phenol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VLEUZFDZJKSGMX-ONEGZZNKSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 256.109944368 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H16O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 256.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC(=CC(=C1)C=CC2=CC=C(C=C2)O)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC(=CC(=C1)/C=C/C2=CC=C(C=C2)O)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 38.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 256.109944368 19 0 0 0 1 1 0 0 1 -1