56676308 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 4 4 5 5 5 6 7 7 8 9 9 10 11 12 12 13 14 15 15 16 16 17 17 18 18 19 20 20 20 20 6 7 10 29 8 13 30 6 8 10 12 9 11 11 15 16 14 21 13 22 14 23 17 24 18 25 19 26 19 27 28 31 32 33 34 1 1 1 1 2 1 1 1 1 2 2 1 2 1 2 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 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 4.0682 2.3199 4.0682 0.5381 3.2022 3.2022 4.9343 4.0682 5.8003 2.3083 4.9343 2.3083 1.4022 1.4022 5.8003 6.6663 6.6663 7.5324 7.5324 4.0346 5.4712 2.3154 0.8665 5.2634 6.6663 6.6663 8.0693 8.0693 1.7865 0 4.5716 3.4977 3.7246 4.3446 2.12 5.1546 5.12 2.0958 3.62 2.62 2.62 4.12 2.12 4.1547 3.62 2.0853 2.5992 3.6408 1.12 2.62 0.62 2.12 1.12 8.0275 3.93 1.4654 3.9529 0.81 3.24 0 2.43 0.81 5.4708 2.4038 8.3375 7.7175 8.5645 7.4906 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 5 5 5 6 7 8 9 9 10 12 13 15 16 17 18 6 7 6 8 10 12 11 11 15 16 14 13 14 17 18 19 19 0 Compound Canonicalized 5 2012.02.08 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 384 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0783800000000000000000000000000000000000000306080000000000000814000001A00000800000C048098003206800006008802A05200000208002420000888010608C80C273686351A827960A5E01508B90788ECACCE20000008000800004000001000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 5,7-dihydroxy-2-phenyl-chromen-4-one;methane IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 5,7-dihydroxy-2-phenyl-1-benzopyran-4-one;methane IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 5,7-dihydroxy-2-phenylchromen-4-one;methane IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 5,7-dihydroxy-2-phenylchromen-4-one;methane IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 5,7-bis(oxidanyl)-2-phenyl-chromen-4-one;methane IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 5,7-dihydroxy-2-phenyl-chromone;methane InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H10O4.CH4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9;/h1-8,16-17H;1H4 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 NOXYLWJSDODIMY-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 270.08920892 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H14O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 270.28 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C.C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C.C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 66.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 270.08920892 20 0 0 0 0 0 0 0 2 -1