70689921 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 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 8 8 8 8 8 6 6 6 6 6 6 6 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 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 6 6 6 7 7 7 8 9 11 12 12 13 13 14 14 15 16 17 18 19 19 19 20 20 20 21 21 22 22 23 23 24 24 25 25 25 26 26 26 27 27 27 28 28 28 8 9 15 19 16 20 11 38 10 8 10 11 9 10 14 12 13 17 15 29 16 30 18 31 17 18 32 33 21 34 35 22 36 37 23 39 24 40 25 26 27 28 41 42 43 44 45 46 47 48 49 50 51 52 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 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 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 8.9942 12.5243 5.4641 10.7426 8.9942 9.8602 8.1282 9.8602 8.1282 8.9942 10.7542 10.7542 7.2342 7.2342 11.6602 6.3282 11.6602 6.3282 13.3923 4.5961 14.2564 3.732 15.1243 2.8641 15.9884 15.1282 2 2.8602 10.747 7.2414 7.2414 12.196 5.7924 13.7926 12.9956 4.9928 4.1958 11.2759 14.254 3.7344 15.6763 16.5241 16.3005 15.7482 15.1306 14.5082 1.6879 1.4643 2.3121 3.4802 2.8578 2.2402 -1.6566 -1.6808 -1.6808 1.378 1.3434 -0.1566 -0.1566 -1.1566 -1.1566 0.3434 0.378 -1.6913 -1.6913 0.378 -1.1775 -1.1775 -0.1358 -0.1358 -1.1841 -1.1841 -1.6875 -1.6875 -1.1908 -1.1908 -1.6941 -0.1908 -1.6941 -0.1908 -2.3113 -2.3113 0.998 0.1762 0.1762 -0.7107 -0.7077 -0.7077 -0.7107 1.6941 -2.3075 -2.3075 -2.2299 -2.0062 -1.1584 -0.1932 0.4292 -0.1884 -1.1584 -2.0062 -2.2299 -0.1884 0.4292 -0.1932 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 6 6 6 7 7 7 8 9 11 12 13 14 15 16 8 9 8 10 11 9 10 14 12 13 17 15 16 18 17 18 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 602 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0783800000000000000000000000000000000000000346080000000000000914000001A00000800000C04A098023206800006008802A05200000208002420000888010608C80C273686351A827960A5E01508B98788ECECCE20000008000800004000001000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-hydroxy-3,6-bis(3-methylbut-2-enoxy)xanthen-9-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-hydroxy-3,6-bis(3-methylbut-2-enoxy)-9-xanthenone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-hydroxy-3,6-bis(3-methylbut-2-enoxy)xanthen-9-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-hydroxy-3,6-bis(3-methylbut-2-enoxy)xanthen-9-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3,6-bis(3-methylbut-2-enoxy)-1-oxidanyl-xanthen-9-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-hydroxy-3,6-bis(3-methylbut-2-enoxy)xanthone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C23H24O5/c1-14(2)7-9-26-16-5-6-18-20(12-16)28-21-13-17(27-10-8-15(3)4)11-19(24)22(21)23(18)25/h5-8,11-13,24H,9-10H2,1-4H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HFYMLVZILBYEFI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 6.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 380.16237386 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H24O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 380.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=CCOC1=CC2=C(C=C1)C(=O)C3=C(C=C(C=C3O2)OCC=C(C)C)O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=CCOC1=CC2=C(C=C1)C(=O)C3=C(C=C(C=C3O2)OCC=C(C)C)O)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 65 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 380.16237386 28 0 0 0 0 0 0 0 1 -1