4-[6,6-bis(3-chloro-4-hydroxyphenyl)-2-(4-chloro-3-hydroxyphenyl)-1,3,4,4a,5,7,8,8a-octahydronaphthalen-2-yl]-2-chlorophenol;2-chloro-6-methyl-3-[1,4,4-tris(3-chloro-4-hydroxy-5-methylphenyl)cyclohexyl]phenol;4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]phenyl]cyclopentyl]-2-[(4-hydroxy-2-methylphenyl)methyl]phenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-phenylphenyl]cyclohexyl]-2-[(4-hydroxy-2-methylphenyl)methyl]-6-phenylphenol;1-(4-hydroxyphenyl)-1,3,3-trimethyl-2H-indene-5,6-diol;2-methyl-4-[1,4,4-tris(4-hydroxy-3-methylphenyl)cyclohexyl]phenol;4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-6,6',7,7',8,8'-hexol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4',5,5',6,6'-hexol;4-[1,4,4-tris(4-hydroxyphenyl)cyclohexyl]phenol

C322H328Cl8O47 — CID 160872253

IUPAC4-[6,6-bis(3-chloro-4-hydroxyphenyl)-2-(4-chloro-3-hydroxyphenyl)-1,3,4,4a,5,7,8,8a-octahydronaphthalen-2-yl]-2-chlorophenol;2-chloro-6-methyl-3-[1,4,4-tris(3-chloro-4-hydroxy-5-methylphenyl)cyclohexyl]phenol;4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]phenyl]cyclopentyl]-2-[(4-hydroxy-2-methylphenyl)methyl]phenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-phenylphenyl]cyclohexyl]-2-[(4-hydroxy-2-methylphenyl)methyl]-6-phenylphenol;1-(4-hydroxyphenyl)-1,3,3-trimethyl-2H-indene-5,6-diol;2-methyl-4-[1,4,4-tris(4-hydroxy-3-methylphenyl)cyclohexyl]phenol;4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-6,6',7,7',8,8'-hexol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4',5,5',6,6'-hexol;4-[1,4,4-tris(4-hydroxyphenyl)cyclohexyl]phenol
SMILESCC1(C)CC(C)(c2ccc(O)cc2)c2cc(O)c(O)cc21.CC1(C)CC2(CC(C)(C)c3cc(O)c(O)c(O)c32)c2c1cc(O)c(O)c2O.CC1(C)CC2(CC(C)(C)c3cc(O)c(O)c(O)c3O2)Oc2c1cc(O)c(O)c2O.Cc1cc(C2(c3cc(C)c(O)c(Cl)c3)CCC(c3cc(C)c(O)c(Cl)c3)(c3ccc(C)c(O)c3Cl)CC2)cc(Cl)c1O.Cc1cc(C2(c3ccc(O)c(C)c3)CCC(c3ccc(O)c(C)c3)(c3ccc(O)c(C)c3)CC2)ccc1O.Cc1cc(Cc2cc(C(C)(C)c3cc(Cc4cc(C)c(O)c(C)c4)c(O)c(Cc4cc(C)c(O)c(C)c4)c3)cc(Cc3cc(C)c(O)c(C)c3)c2O)cc(C)c1O.Cc1cc(O)ccc1Cc1cc(C2(c3cc(Cc4ccc(O)cc4C)c(O)c(-c4ccccc4)c3)CCCCC2)cc(-c2ccccc2)c1O.Cc1cc(O)ccc1Cc1cc(C2(c3ccc(O)c(Cc4ccc(O)cc4C)c3)CCCC2)ccc1O.Oc1cc(C2(c3ccc(O)c(Cl)c3)CCC3CC(c4ccc(O)c(Cl)c4)(c4ccc(O)c(Cl)c4)CCC3C2)ccc1Cl.Oc1ccc(C2(c3ccc(O)cc3)CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C51H56O6.C46H44O4.C34H30Cl4O4.C34H32Cl4O4.C34H36O4.C33H34O4.C30H28O4.C21H24O8.C21H24O6.C18H20O3/c1-27-11-35(12-28(2)45(27)52)19-39-23-43(24-40(49(39)56)20-36-13-29(3)46(53)30(4)14-36)51(9,10)44-25-41(21-37-15-31(5)47(54)32(6)16-37)50(57)42(26-44)22-38-17-33(7)48(55)34(8)18-38;1-30-22-40(47)18-16-34(30)24-36-26-38(28-42(44(36)49)32-12-6-3-7-13-32)46(20-10-5-11-21-46)39-27-37(25-35-17-19-41(48)23-31(35)2)45(50)43(29-39)33-14-8-4-9-15-33;35-25-5-1-24(16-32(25)42)34(23-4-8-31(41)28(38)15-23)12-10-19-17-33(11-9-20(19)18-34,21-2-6-29(39)26(36)13-21)22-3-7-30(40)27(37)14-22;1-17-5-6-24(28(38)32(17)42)34(23-13-20(4)31(41)27(37)16-23)9-7-33(8-10-34,21-11-18(2)29(39)25(35)14-21)22-12-19(3)30(40)26(36)15-22;1-21-17-25(5-9-29(21)35)33(26-6-10-30(36)22(2)18-26)13-15-34(16-14-33,27-7-11-31(37)23(3)19-27)28-8-12-32(38)24(4)20-28;1-21-15-29(34)9-5-23(21)17-25-19-27(7-11-31(25)36)33(13-3-4-14-33)28-8-12-32(37)26(20-28)18-24-6-10-30(35)16-22(24)2;31-25-9-1-21(2-10-25)29(22-3-11-26(32)12-4-22)17-19-30(20-18-29,23-5-13-27(33)14-6-23)24-7-15-28(34)16-8-24;1-19(2)7-21(28-17-9(19)5-11(22)13(24)15(17)26)8-20(3,4)10-6-12(23)14(25)16(27)18(10)29-21;1-19(2)7-21(13-9(19)5-11(22)15(24)17(13)26)8-20(3,4)10-6-12(23)16(25)18(27)14(10)21;1-17(2)10-18(3,11-4-6-12(19)7-5-11)14-9-16(21)15(20)8-13(14)17/h11-18,23-26,52-57H,19-22H2,1-10H3;3-4,6-9,12-19,22-23,26-29,47-50H,5,10-11,20-21,24-25H2,1-2H3;1-8,13-16,19-20,39-42H,9-12,17-18H2;5-6,11-16,39-42H,7-10H2,1-4H3;5-12,17-20,35-38H,13-16H2,1-4H3;5-12,15-16,19-20,34-37H,3-4,13-14,17-18H2,1-2H3;1-16,31-34H,17-20H2;5-6,22-27H,7-8H2,1-4H3;5-6,22-27H,7-8H2,1-4H3;4-9,19-21H,10H2,1-3H3
InChIKeySLXFXWXXKLJHNM-UHFFFAOYSA-N
MW5233.74 g/mol
LogP74.07
Rot. Bonds41

About 4-[6,6-bis(3-chloro-4-hydroxyphenyl)-2-(4-chloro-3-hydroxyphenyl)-1,3,4,4a,5,7,8,8a-octahydronaphthalen-2-yl]-2-chlorophenol;2-chloro-6-methyl-3-[1,4,4-tris(3-chloro-4-hydroxy-5-methylphenyl)cyclohexyl]phenol;4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]phenyl]cyclopentyl]-2-[(4-hydroxy-2-methylphenyl)methyl]phenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-phenylphenyl]cyclohexyl]-2-[(4-hydroxy-2-methylphenyl)methyl]-6-phenylphenol;1-(4-hydroxyphenyl)-1,3,3-trimethyl-2H-indene-5,6-diol;2-methyl-4-[1,4,4-tris(4-hydroxy-3-methylphenyl)cyclohexyl]phenol;4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-6,6',7,7',8,8'-hexol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4',5,5',6,6'-hexol;4-[1,4,4-tris(4-hydroxyphenyl)cyclohexyl]phenol

4-[6,6-bis(3-chloro-4-hydroxyphenyl)-2-(4-chloro-3-hydroxyphenyl)-1,3,4,4a,5,7,8,8a-octahydronaphthalen-2-yl]-2-chlorophenol;2-chloro-6-methyl-3-[1,4,4-tris(3-chloro-4-hydroxy-5-methylphenyl)cyclohexyl]phenol;4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]phenyl]cyclopentyl]-2-[(4-hydroxy-2-methylphenyl)methyl]phenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-phenylphenyl]cyclohexyl]-2-[(4-hydroxy-2-methylphenyl)methyl]-6-phenylphenol;1-(4-hydroxyphenyl)-1,3,3-trimethyl-2H-indene-5,6-diol;2-methyl-4-[1,4,4-tris(4-hydroxy-3-methylphenyl)cyclohexyl]phenol;4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-6,6',7,7',8,8'-hexol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4',5,5',6,6'-hexol;4-[1,4,4-tris(4-hydroxyphenyl)cyclohexyl]phenol (PubChem CID 160872253) has the molecular formula C322H328Cl8O47 and a molecular weight of 5233.74 g/mol. Its IUPAC name is 4-[6,6-bis(3-chloro-4-hydroxyphenyl)-2-(4-chloro-3-hydroxyphenyl)-1,3,4,4a,5,7,8,8a-octahydronaphthalen-2-yl]-2-chlorophenol;2-chloro-6-methyl-3-[1,4,4-tris(3-chloro-4-hydroxy-5-methylphenyl)cyclohexyl]phenol;4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]phenyl]cyclopentyl]-2-[(4-hydroxy-2-methylphenyl)methyl]phenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-phenylphenyl]cyclohexyl]-2-[(4-hydroxy-2-methylphenyl)methyl]-6-phenylphenol;1-(4-hydroxyphenyl)-1,3,3-trimethyl-2H-indene-5,6-diol;2-methyl-4-[1,4,4-tris(4-hydroxy-3-methylphenyl)cyclohexyl]phenol;4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-6,6',7,7',8,8'-hexol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4',5,5',6,6'-hexol;4-[1,4,4-tris(4-hydroxyphenyl)cyclohexyl]phenol.

Molecular Properties

Compound Name4-[6,6-bis(3-chloro-4-hydroxyphenyl)-2-(4-chloro-3-hydroxyphenyl)-1,3,4,4a,5,7,8,8a-octahydronaphthalen-2-yl]-2-chlorophenol;2-chloro-6-methyl-3-[1,4,4-tris(3-chloro-4-hydroxy-5-methylphenyl)cyclohexyl]phenol;4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]phenyl]cyclopentyl]-2-[(4-hydroxy-2-methylphenyl)methyl]phenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-phenylphenyl]cyclohexyl]-2-[(4-hydroxy-2-methylphenyl)methyl]-6-phenylphenol;1-(4-hydroxyphenyl)-1,3,3-trimethyl-2H-indene-5,6-diol;2-methyl-4-[1,4,4-tris(4-hydroxy-3-methylphenyl)cyclohexyl]phenol;4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-6,6',7,7',8,8'-hexol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4',5,5',6,6'-hexol;4-[1,4,4-tris(4-hydroxyphenyl)cyclohexyl]phenol
PubChem CID160872253
Molecular FormulaC322H328Cl8O47
Molecular Weight5233.74 g/mol
Exact Mass5226.08
IUPAC Name4-[6,6-bis(3-chloro-4-hydroxyphenyl)-2-(4-chloro-3-hydroxyphenyl)-1,3,4,4a,5,7,8,8a-octahydronaphthalen-2-yl]-2-chlorophenol;2-chloro-6-methyl-3-[1,4,4-tris(3-chloro-4-hydroxy-5-methylphenyl)cyclohexyl]phenol;4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]phenyl]cyclopentyl]-2-[(4-hydroxy-2-methylphenyl)methyl]phenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-phenylphenyl]cyclohexyl]-2-[(4-hydroxy-2-methylphenyl)methyl]-6-phenylphenol;1-(4-hydroxyphenyl)-1,3,3-trimethyl-2H-indene-5,6-diol;2-methyl-4-[1,4,4-tris(4-hydroxy-3-methylphenyl)cyclohexyl]phenol;4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-6,6',7,7',8,8'-hexol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4',5,5',6,6'-hexol;4-[1,4,4-tris(4-hydroxyphenyl)cyclohexyl]phenol
SMILESCC1(C)CC(C)(c2ccc(O)cc2)c2cc(O)c(O)cc21.CC1(C)CC2(CC(C)(C)c3cc(O)c(O)c(O)c32)c2c1cc(O)c(O)c2O.CC1(C)CC2(CC(C)(C)c3cc(O)c(O)c(O)c3O2)Oc2c1cc(O)c(O)c2O.Cc1cc(C2(c3cc(C)c(O)c(Cl)c3)CCC(c3cc(C)c(O)c(Cl)c3)(c3ccc(C)c(O)c3Cl)CC2)cc(Cl)c1O.Cc1cc(C2(c3ccc(O)c(C)c3)CCC(c3ccc(O)c(C)c3)(c3ccc(O)c(C)c3)CC2)ccc1O.Cc1cc(Cc2cc(C(C)(C)c3cc(Cc4cc(C)c(O)c(C)c4)c(O)c(Cc4cc(C)c(O)c(C)c4)c3)cc(Cc3cc(C)c(O)c(C)c3)c2O)cc(C)c1O.Cc1cc(O)ccc1Cc1cc(C2(c3cc(Cc4ccc(O)cc4C)c(O)c(-c4ccccc4)c3)CCCCC2)cc(-c2ccccc2)c1O.Cc1cc(O)ccc1Cc1cc(C2(c3ccc(O)c(Cc4ccc(O)cc4C)c3)CCCC2)ccc1O.Oc1cc(C2(c3ccc(O)c(Cl)c3)CCC3CC(c4ccc(O)c(Cl)c4)(c4ccc(O)c(Cl)c4)CCC3C2)ccc1Cl.Oc1ccc(C2(c3ccc(O)cc3)CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C51H56O6.C46H44O4.C34H30Cl4O4.C34H32Cl4O4.C34H36O4.C33H34O4.C30H28O4.C21H24O8.C21H24O6.C18H20O3/c1-27-11-35(12-28(2)45(27)52)19-39-23-43(24-40(49(39)56)20-36-13-29(3)46(53)30(4)14-36)51(9,10)44-25-41(21-37-15-31(5)47(54)32(6)16-37)50(57)42(26-44)22-38-17-33(7)48(55)34(8)18-38;1-30-22-40(47)18-16-34(30)24-36-26-38(28-42(44(36)49)32-12-6-3-7-13-32)46(20-10-5-11-21-46)39-27-37(25-35-17-19-41(48)23-31(35)2)45(50)43(29-39)33-14-8-4-9-15-33;35-25-5-1-24(16-32(25)42)34(23-4-8-31(41)28(38)15-23)12-10-19-17-33(11-9-20(19)18-34,21-2-6-29(39)26(36)13-21)22-3-7-30(40)27(37)14-22;1-17-5-6-24(28(38)32(17)42)34(23-13-20(4)31(41)27(37)16-23)9-7-33(8-10-34,21-11-18(2)29(39)25(35)14-21)22-12-19(3)30(40)26(36)15-22;1-21-17-25(5-9-29(21)35)33(26-6-10-30(36)22(2)18-26)13-15-34(16-14-33,27-7-11-31(37)23(3)19-27)28-8-12-32(38)24(4)20-28;1-21-15-29(34)9-5-23(21)17-25-19-27(7-11-31(25)36)33(13-3-4-14-33)28-8-12-32(37)26(20-28)18-24-6-10-30(35)16-22(24)2;31-25-9-1-21(2-10-25)29(22-3-11-26(32)12-4-22)17-19-30(20-18-29,23-5-13-27(33)14-6-23)24-7-15-28(34)16-8-24;1-19(2)7-21(28-17-9(19)5-11(22)13(24)15(17)26)8-20(3,4)10-6-12(23)14(25)16(27)18(10)29-21;1-19(2)7-21(13-9(19)5-11(22)15(24)17(13)26)8-20(3,4)10-6-12(23)16(25)18(27)14(10)21;1-17(2)10-18(3,11-4-6-12(19)7-5-11)14-9-16(21)15(20)8-13(14)17/h11-18,23-26,52-57H,19-22H2,1-10H3;3-4,6-9,12-19,22-23,26-29,47-50H,5,10-11,20-21,24-25H2,1-2H3;1-8,13-16,19-20,39-42H,9-12,17-18H2;5-6,11-16,39-42H,7-10H2,1-4H3;5-12,17-20,35-38H,13-16H2,1-4H3;5-12,15-16,19-20,34-37H,3-4,13-14,17-18H2,1-2H3;1-16,31-34H,17-20H2;5-6,22-27H,7-8H2,1-4H3;5-6,22-27H,7-8H2,1-4H3;4-9,19-21H,10H2,1-3H3
InChIKeySLXFXWXXKLJHNM-UHFFFAOYSA-N
XLogP74.07
TPSA928.81 Ų
H-Bond Donors45
H-Bond Acceptors47
Rotatable Bonds41
Heavy Atoms377
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005233.74
LogP ≤ 574.07
H-Bond Donors ≤ 545
H-Bond Acceptors ≤ 1047

Analyze 4-[6,6-bis(3-chloro-4-hydroxyphenyl)-2-(4-chloro-3-hydroxyphenyl)-1,3,4,4a,5,7,8,8a-octahydronaphthalen-2-yl]-2-chlorophenol;2-chloro-6-methyl-3-[1,4,4-tris(3-chloro-4-hydroxy-5-methylphenyl)cyclohexyl]phenol;4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]phenyl]cyclopentyl]-2-[(4-hydroxy-2-methylphenyl)methyl]phenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-phenylphenyl]cyclohexyl]-2-[(4-hydroxy-2-methylphenyl)methyl]-6-phenylphenol;1-(4-hydroxyphenyl)-1,3,3-trimethyl-2H-indene-5,6-diol;2-methyl-4-[1,4,4-tris(4-hydroxy-3-methylphenyl)cyclohexyl]phenol;4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-6,6',7,7',8,8'-hexol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4',5,5',6,6'-hexol;4-[1,4,4-tris(4-hydroxyphenyl)cyclohexyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6,6-bis(3-chloro-4-hydroxyphenyl)-2-(4-chloro-3-hydroxyphenyl)-1,3,4,4a,5,7,8,8a-octahydronaphthalen-2-yl]-2-chlorophenol;2-chloro-6-methyl-3-[1,4,4-tris(3-chloro-4-hydroxy-5-methylphenyl)cyclohexyl]phenol;4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]phenyl]cyclopentyl]-2-[(4-hydroxy-2-methylphenyl)methyl]phenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-phenylphenyl]cyclohexyl]-2-[(4-hydroxy-2-methylphenyl)methyl]-6-phenylphenol;1-(4-hydroxyphenyl)-1,3,3-trimethyl-2H-indene-5,6-diol;2-methyl-4-[1,4,4-tris(4-hydroxy-3-methylphenyl)cyclohexyl]phenol;4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-6,6',7,7',8,8'-hexol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4',5,5',6,6'-hexol;4-[1,4,4-tris(4-hydroxyphenyl)cyclohexyl]phenol?
The IUPAC name of 4-[6,6-bis(3-chloro-4-hydroxyphenyl)-2-(4-chloro-3-hydroxyphenyl)-1,3,4,4a,5,7,8,8a-octahydronaphthalen-2-yl]-2-chlorophenol;2-chloro-6-methyl-3-[1,4,4-tris(3-chloro-4-hydroxy-5-methylphenyl)cyclohexyl]phenol;4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]phenyl]cyclopentyl]-2-[(4-hydroxy-2-methylphenyl)methyl]phenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-phenylphenyl]cyclohexyl]-2-[(4-hydroxy-2-methylphenyl)methyl]-6-phenylphenol;1-(4-hydroxyphenyl)-1,3,3-trimethyl-2H-indene-5,6-diol;2-methyl-4-[1,4,4-tris(4-hydroxy-3-methylphenyl)cyclohexyl]phenol;4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-6,6',7,7',8,8'-hexol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4',5,5',6,6'-hexol;4-[1,4,4-tris(4-hydroxyphenyl)cyclohexyl]phenol (CID 160872253) is 4-[6,6-bis(3-chloro-4-hydroxyphenyl)-2-(4-chloro-3-hydroxyphenyl)-1,3,4,4a,5,7,8,8a-octahydronaphthalen-2-yl]-2-chlorophenol;2-chloro-6-methyl-3-[1,4,4-tris(3-chloro-4-hydroxy-5-methylphenyl)cyclohexyl]phenol;4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]phenyl]cyclopentyl]-2-[(4-hydroxy-2-methylphenyl)methyl]phenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-phenylphenyl]cyclohexyl]-2-[(4-hydroxy-2-methylphenyl)methyl]-6-phenylphenol;1-(4-hydroxyphenyl)-1,3,3-trimethyl-2H-indene-5,6-diol;2-methyl-4-[1,4,4-tris(4-hydroxy-3-methylphenyl)cyclohexyl]phenol;4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-6,6',7,7',8,8'-hexol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4',5,5',6,6'-hexol;4-[1,4,4-tris(4-hydroxyphenyl)cyclohexyl]phenol.
What is the SMILES notation for 4-[6,6-bis(3-chloro-4-hydroxyphenyl)-2-(4-chloro-3-hydroxyphenyl)-1,3,4,4a,5,7,8,8a-octahydronaphthalen-2-yl]-2-chlorophenol;2-chloro-6-methyl-3-[1,4,4-tris(3-chloro-4-hydroxy-5-methylphenyl)cyclohexyl]phenol;4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]phenyl]cyclopentyl]-2-[(4-hydroxy-2-methylphenyl)methyl]phenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-phenylphenyl]cyclohexyl]-2-[(4-hydroxy-2-methylphenyl)methyl]-6-phenylphenol;1-(4-hydroxyphenyl)-1,3,3-trimethyl-2H-indene-5,6-diol;2-methyl-4-[1,4,4-tris(4-hydroxy-3-methylphenyl)cyclohexyl]phenol;4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-6,6',7,7',8,8'-hexol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4',5,5',6,6'-hexol;4-[1,4,4-tris(4-hydroxyphenyl)cyclohexyl]phenol?
The canonical SMILES for 4-[6,6-bis(3-chloro-4-hydroxyphenyl)-2-(4-chloro-3-hydroxyphenyl)-1,3,4,4a,5,7,8,8a-octahydronaphthalen-2-yl]-2-chlorophenol;2-chloro-6-methyl-3-[1,4,4-tris(3-chloro-4-hydroxy-5-methylphenyl)cyclohexyl]phenol;4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]phenyl]cyclopentyl]-2-[(4-hydroxy-2-methylphenyl)methyl]phenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-phenylphenyl]cyclohexyl]-2-[(4-hydroxy-2-methylphenyl)methyl]-6-phenylphenol;1-(4-hydroxyphenyl)-1,3,3-trimethyl-2H-indene-5,6-diol;2-methyl-4-[1,4,4-tris(4-hydroxy-3-methylphenyl)cyclohexyl]phenol;4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-6,6',7,7',8,8'-hexol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4',5,5',6,6'-hexol;4-[1,4,4-tris(4-hydroxyphenyl)cyclohexyl]phenol is CC1(C)CC(C)(c2ccc(O)cc2)c2cc(O)c(O)cc21.CC1(C)CC2(CC(C)(C)c3cc(O)c(O)c(O)c32)c2c1cc(O)c(O)c2O.CC1(C)CC2(CC(C)(C)c3cc(O)c(O)c(O)c3O2)Oc2c1cc(O)c(O)c2O.Cc1cc(C2(c3cc(C)c(O)c(Cl)c3)CCC(c3cc(C)c(O)c(Cl)c3)(c3ccc(C)c(O)c3Cl)CC2)cc(Cl)c1O.Cc1cc(C2(c3ccc(O)c(C)c3)CCC(c3ccc(O)c(C)c3)(c3ccc(O)c(C)c3)CC2)ccc1O.Cc1cc(Cc2cc(C(C)(C)c3cc(Cc4cc(C)c(O)c(C)c4)c(O)c(Cc4cc(C)c(O)c(C)c4)c3)cc(Cc3cc(C)c(O)c(C)c3)c2O)cc(C)c1O.Cc1cc(O)ccc1Cc1cc(C2(c3cc(Cc4ccc(O)cc4C)c(O)c(-c4ccccc4)c3)CCCCC2)cc(-c2ccccc2)c1O.Cc1cc(O)ccc1Cc1cc(C2(c3ccc(O)c(Cc4ccc(O)cc4C)c3)CCCC2)ccc1O.Oc1cc(C2(c3ccc(O)c(Cl)c3)CCC3CC(c4ccc(O)c(Cl)c4)(c4ccc(O)c(Cl)c4)CCC3C2)ccc1Cl.Oc1ccc(C2(c3ccc(O)cc3)CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)cc1.
What is the InChIKey of 4-[6,6-bis(3-chloro-4-hydroxyphenyl)-2-(4-chloro-3-hydroxyphenyl)-1,3,4,4a,5,7,8,8a-octahydronaphthalen-2-yl]-2-chlorophenol;2-chloro-6-methyl-3-[1,4,4-tris(3-chloro-4-hydroxy-5-methylphenyl)cyclohexyl]phenol;4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]phenyl]cyclopentyl]-2-[(4-hydroxy-2-methylphenyl)methyl]phenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-phenylphenyl]cyclohexyl]-2-[(4-hydroxy-2-methylphenyl)methyl]-6-phenylphenol;1-(4-hydroxyphenyl)-1,3,3-trimethyl-2H-indene-5,6-diol;2-methyl-4-[1,4,4-tris(4-hydroxy-3-methylphenyl)cyclohexyl]phenol;4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-6,6',7,7',8,8'-hexol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4',5,5',6,6'-hexol;4-[1,4,4-tris(4-hydroxyphenyl)cyclohexyl]phenol?
The InChIKey is SLXFXWXXKLJHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H56O6.C46H44O4.C34H30Cl4O4.C34H32Cl4O4.C34H36O4.C33H34O4.C30H28O4.C21H24O8.C21H24O6.C18H20O3/c1-27-11-35(12-28(2)45(27)52)19-39-23-43(24-40(49(39)56)20-36-13-29(3)46(53)30(4)14-36)51(9,10)44-25-41(21-37-15-31(5)47(54)32(6)16-37)50(57)42(26-44)22-38-17-33(7)48(55)34(8)18-38;1-30-22-40(47)18-16-34(30)24-36-26-38(28-42(44(36)49)32-12-6-3-7-13-32)46(20-10-5-11-21-46)39-27-37(25-35-17-19-41(48)23-31(35)2)45(50)43(29-39)33-14-8-4-9-15-33;35-25-5-1-24(16-32(25)42)34(23-4-8-31(41)28(38)15-23)12-10-19-17-33(11-9-20(19)18-34,21-2-6-29(39)26(36)13-21)22-3-7-30(40)27(37)14-22;1-17-5-6-24(28(38)32(17)42)34(23-13-20(4)31(41)27(37)16-23)9-7-33(8-10-34,21-11-18(2)29(39)25(35)14-21)22-12-19(3)30(40)26(36)15-22;1-21-17-25(5-9-29(21)35)33(26-6-10-30(36)22(2)18-26)13-15-34(16-14-33,27-7-11-31(37)23(3)19-27)28-8-12-32(38)24(4)20-28;1-21-15-29(34)9-5-23(21)17-25-19-27(7-11-31(25)36)33(13-3-4-14-33)28-8-12-32(37)26(20-28)18-24-6-10-30(35)16-22(24)2;31-25-9-1-21(2-10-25)29(22-3-11-26(32)12-4-22)17-19-30(20-18-29,23-5-13-27(33)14-6-23)24-7-15-28(34)16-8-24;1-19(2)7-21(28-17-9(19)5-11(22)13(24)15(17)26)8-20(3,4)10-6-12(23)14(25)16(27)18(10)29-21;1-19(2)7-21(13-9(19)5-11(22)15(24)17(13)26)8-20(3,4)10-6-12(23)16(25)18(27)14(10)21;1-17(2)10-18(3,11-4-6-12(19)7-5-11)14-9-16(21)15(20)8-13(14)17/h11-18,23-26,52-57H,19-22H2,1-10H3;3-4,6-9,12-19,22-23,26-29,47-50H,5,10-11,20-21,24-25H2,1-2H3;1-8,13-16,19-20,39-42H,9-12,17-18H2;5-6,11-16,39-42H,7-10H2,1-4H3;5-12,17-20,35-38H,13-16H2,1-4H3;5-12,15-16,19-20,34-37H,3-4,13-14,17-18H2,1-2H3;1-16,31-34H,17-20H2;5-6,22-27H,7-8H2,1-4H3;5-6,22-27H,7-8H2,1-4H3;4-9,19-21H,10H2,1-3H3.
What are the key properties of 4-[6,6-bis(3-chloro-4-hydroxyphenyl)-2-(4-chloro-3-hydroxyphenyl)-1,3,4,4a,5,7,8,8a-octahydronaphthalen-2-yl]-2-chlorophenol;2-chloro-6-methyl-3-[1,4,4-tris(3-chloro-4-hydroxy-5-methylphenyl)cyclohexyl]phenol;4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]phenyl]cyclopentyl]-2-[(4-hydroxy-2-methylphenyl)methyl]phenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-phenylphenyl]cyclohexyl]-2-[(4-hydroxy-2-methylphenyl)methyl]-6-phenylphenol;1-(4-hydroxyphenyl)-1,3,3-trimethyl-2H-indene-5,6-diol;2-methyl-4-[1,4,4-tris(4-hydroxy-3-methylphenyl)cyclohexyl]phenol;4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-6,6',7,7',8,8'-hexol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4',5,5',6,6'-hexol;4-[1,4,4-tris(4-hydroxyphenyl)cyclohexyl]phenol?
4-[6,6-bis(3-chloro-4-hydroxyphenyl)-2-(4-chloro-3-hydroxyphenyl)-1,3,4,4a,5,7,8,8a-octahydronaphthalen-2-yl]-2-chlorophenol;2-chloro-6-methyl-3-[1,4,4-tris(3-chloro-4-hydroxy-5-methylphenyl)cyclohexyl]phenol;4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]phenyl]cyclopentyl]-2-[(4-hydroxy-2-methylphenyl)methyl]phenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-phenylphenyl]cyclohexyl]-2-[(4-hydroxy-2-methylphenyl)methyl]-6-phenylphenol;1-(4-hydroxyphenyl)-1,3,3-trimethyl-2H-indene-5,6-diol;2-methyl-4-[1,4,4-tris(4-hydroxy-3-methylphenyl)cyclohexyl]phenol;4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-6,6',7,7',8,8'-hexol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4',5,5',6,6'-hexol;4-[1,4,4-tris(4-hydroxyphenyl)cyclohexyl]phenol has a molecular weight of 5233.74 g/mol, XLogP of 74.07, 41 rotatable bonds, 45 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6,6-bis(3-chloro-4-hydroxyphenyl)-2-(4-chloro-3-hydroxyphenyl)-1,3,4,4a,5,7,8,8a-octahydronaphthalen-2-yl]-2-chlorophenol;2-chloro-6-methyl-3-[1,4,4-tris(3-chloro-4-hydroxy-5-methylphenyl)cyclohexyl]phenol;4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]phenyl]cyclopentyl]-2-[(4-hydroxy-2-methylphenyl)methyl]phenol;4-[1-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-phenylphenyl]cyclohexyl]-2-[(4-hydroxy-2-methylphenyl)methyl]-6-phenylphenol;1-(4-hydroxyphenyl)-1,3,3-trimethyl-2H-indene-5,6-diol;2-methyl-4-[1,4,4-tris(4-hydroxy-3-methylphenyl)cyclohexyl]phenol;4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-6,6',7,7',8,8'-hexol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4',5,5',6,6'-hexol;4-[1,4,4-tris(4-hydroxyphenyl)cyclohexyl]phenol is sourced from PubChem (CID 160872253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).