185848 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 8 8 8 8 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 2 2 3 3 4 4 5 5 5 6 6 7 8 8 9 10 10 11 11 12 12 13 13 14 15 16 17 18 6 7 14 26 16 27 17 28 7 9 10 8 9 11 12 13 19 15 20 14 21 17 22 16 23 15 24 18 18 25 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 2 1 2 1 1 1 2 1 1 1 1 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 6.0812 2.5369 9.6648 9.6648 5.135 6.6648 5.135 7.6648 6.0812 4.269 4.269 8.1648 8.1648 3.403 3.403 9.1648 9.1648 9.6648 6.2738 4.269 4.269 7.8548 7.8548 2.866 10.2848 2 10.2848 10.2848 -0.8047 -1 1.732 -1.732 0.5 -0 -0.5 -0 0.8047 1 -1 -0.866 0.866 -0.5 0.5 0.866 -0.866 -0 1.394 1.62 -1.62 -1.403 1.403 0.81 -0 -0.69 1.732 -1.732 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 5 5 5 6 7 8 8 10 11 12 13 14 16 17 6 7 7 9 10 9 11 12 13 15 14 17 16 15 18 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 286 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 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C070380000000000000000000000000000012000000030600000000000004801F400001A00000800000C048098003006C00006408802A05200000208002420000888010608C80C273686351A827960A5E01508B987CAECFCCE20000108000800004000021000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(6-hydroxybenzofuran-2-yl)benzene-1,3-diol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(6-hydroxy-2-benzofuranyl)benzene-1,3-diol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(6-oxidanyl-1-benzofuran-2-yl)benzene-1,3-diol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(6-hydroxybenzofuran-2-yl)resorcinol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H10O4/c15-10-2-1-8-5-13(18-14(8)7-10)9-3-11(16)6-12(17)4-9/h1-7,15-17H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LHPRYOJTASOZGJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 242.05790880 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H10O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 242.23 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C(C=C1O)OC(=C2)C3=CC(=CC(=C3)O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C(C=C1O)OC(=C2)C3=CC(=CC(=C3)O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 73.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 242.05790880 18 0 0 0 0 0 0 0 1 -1