5473050 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 3 4 4 4 5 5 5 6 6 7 7 8 8 9 10 11 12 13 13 14 14 15 15 16 16 18 18 18 9 18 11 28 17 32 6 7 8 10 13 14 9 19 10 20 11 21 12 22 12 23 15 24 16 25 17 26 17 27 29 30 31 1 1 1 1 1 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 7 4 20 10 22 5 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 2 5.4641 4.5981 3.732 4.5981 2.866 3.732 4.5981 2.866 4.5981 4.5981 3.732 5.4641 3.732 5.4641 3.732 4.5981 2 2.3291 3.1951 5.135 5.135 3.732 6.001 3.1951 6.001 3.1951 5.4641 1.38 2 2.62 5.135 -3.405 -3.405 4.095 -1.405 1.095 -1.905 -0.405 -1.905 -2.905 0.095 -2.905 -3.405 1.595 1.595 2.595 2.595 3.095 -4.405 -1.595 -0.095 -1.595 -0.215 -4.025 1.285 1.285 2.905 2.905 -4.025 -4.405 -5.025 -4.405 4.405 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 8 9 11 13 14 15 16 6 8 13 14 9 11 12 12 15 16 17 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 269 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0703000000000000000000000000000000000000000306000000000000000014000001A00000800000C048098023206800006008002204200000208002020000888000608880C272286311A80702025C01508B80780E01C0E20000108000000004000021000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(E)-2-(4-hydroxyphenyl)vinyl]-5-methoxy-phenol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(<I>E</I>)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-phenol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(E)-2-(4-hydroxyphenyl)vinyl]-5-methoxy-phenol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H14O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h2-10,16-17H,1H3/b3-2+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KUWZXOMQXYWKBS-NSCUHMNNSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 242.094294304 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H14O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 242.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC(=CC(=C1)O)C=CC2=CC=C(C=C2)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC(=CC(=C1)O)/C=C/C2=CC=C(C=C2)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 49.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 242.094294304 18 0 0 0 1 1 0 0 1 -1