70438844 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 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 4 5 5 6 7 7 7 8 8 8 9 9 10 10 11 11 12 13 13 14 14 15 15 16 17 18 6 13 16 33 17 34 5 7 8 19 6 9 10 20 21 22 23 24 25 11 26 12 27 12 28 29 14 15 17 30 16 31 18 18 32 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 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 29 30 31 32 33 34 3.732 2 5.4641 3.732 4.5981 4.5981 3.732 2.866 5.4641 5.4641 6.3301 6.3301 3.732 4.5981 2.866 2.866 4.5981 3.732 3.732 4.352 3.732 3.112 2.556 2.3291 3.176 5.4641 5.4641 6.8671 6.8671 5.135 2.3291 3.732 2 5.4641 0.31 -2.69 -2.69 2.31 1.81 0.81 3.31 1.81 2.31 0.31 1.81 0.81 -0.69 -1.19 -1.19 -2.19 -2.19 -2.69 1.69 3.31 3.93 3.31 2.3469 1.5 1.2731 2.93 -0.31 2.12 0.5 -0.88 -0.88 -3.31 -3.31 -3.31 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 9 10 11 13 13 14 15 16 17 6 9 10 11 12 12 14 15 17 16 18 18 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 244 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E0703000000000000000000000000000000000000000306000000000000000014000001A00000800000D048098003206800006008002204200000208002020000888000608880C272286311A827820A5C01508B80780E0EC0E80000008000800000000001000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(2-isopropylphenoxy)benzene-1,3-diol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(2-propan-2-ylphenoxy)benzene-1,3-diol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(2-propan-2-ylphenoxy)benzene-1,3-diol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(2-propan-2-ylphenoxy)benzene-1,3-diol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(2-propan-2-ylphenoxy)benzene-1,3-diol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(2-isopropylphenoxy)resorcinol InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H16O3/c1-10(2)14-5-3-4-6-15(14)18-13-8-11(16)7-12(17)9-13/h3-10,16-17H,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OYHYNIDAHGGBBT-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 244.109944368 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H16O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 244.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)C1=CC=CC=C1OC2=CC(=CC(=C2)O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)C1=CC=CC=C1OC2=CC(=CC(=C2)O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 49.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 244.109944368 18 0 0 0 0 0 0 0 1 -1