641785 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 8 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 2 2 3 3 4 5 5 5 6 7 8 9 9 10 10 12 12 13 13 13 14 15 15 16 16 17 17 18 18 19 20 20 20 6 20 7 30 11 34 8 6 7 8 9 10 12 11 21 11 22 14 23 14 15 16 24 17 25 18 26 19 27 19 28 29 31 32 33 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 2 1 2 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 12 8 23 14 24 13 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 6.001 2.5369 4.269 3.403 4.269 5.135 3.403 4.269 5.135 3.403 4.269 5.135 6.001 5.135 6.8671 6.001 7.7331 6.8671 7.7331 6.8671 5.672 2.866 5.672 4.5981 6.8671 5.4641 8.27 6.8671 8.27 2 6.5571 7.404 7.1771 3.732 -0.595 -0.595 -3.595 0.905 -0.595 -1.095 -1.095 0.405 -2.095 -2.095 -2.595 0.905 2.405 1.905 1.905 3.405 2.405 3.905 3.405 -1.095 -2.405 -2.405 0.595 2.215 1.285 3.715 2.095 4.525 3.715 -0.905 -1.6319 -1.405 -0.5581 -3.905 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 7 9 10 13 13 15 16 17 18 6 7 9 10 11 11 15 16 17 18 19 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 346 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0783800000000000000000000000000000000000000306000000000000000014000001A00000800000C048098023206800006008802A05200000208002420000888010608C80C273686351A80716025E01508B98788ECACCE20000008000800004000001000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E)-1-(2,4-dihydroxy-6-methoxy-phenyl)-3-phenyl-prop-2-en-1-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-2-propen-1-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (<I>E</I>)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E)-1-[2-methoxy-4,6-bis(oxidanyl)phenyl]-3-phenyl-prop-2-en-1-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E)-1-(2,4-dihydroxy-6-methoxy-phenyl)-3-phenyl-prop-2-en-1-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NYSZJNUIVUBQMM-BQYQJAHWSA-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 2021.10.14 270.08920892 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H14O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 270.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC(=CC(=C1C(=O)C=CC2=CC=CC=C2)O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC(=CC(=C1C(=O)/C=C/C2=CC=CC=C2)O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 66.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 270.08920892 20 0 0 0 1 1 0 0 1 12