2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl thiophene-2-carboxylate;2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 2-thiophen-3-ylacetate;[4-[6-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[6-[4-[1-(cyclohexylmethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-(2-phenylethoxy)ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-(1-phenylmethoxyethoxy)phenyl]octan-2-yl]phenyl] acetate

C261H315NO40S2 — CID 160564238

IUPAC2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl thiophene-2-carboxylate;2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 2-thiophen-3-ylacetate;[4-[6-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[6-[4-[1-(cyclohexylmethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-(2-phenylethoxy)ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-(1-phenylmethoxyethoxy)phenyl]octan-2-yl]phenyl] acetate
SMILESCCC(CC(CC(C)c1ccc(OC(C)=O)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCC2CCCCC2)cc1.CCC(CC(CC(C)c1ccc(OC(C)=O)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCC2CCCCC2)cc1.CCC(CC(CC(C)c1ccc(OC(C)=O)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCN2CCCC2=O)cc1.CCC(CC(CC(C)c1ccc(OC(C)=O)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCOC(=O)Cc2ccsc2)cc1.CCC(CC(CC(C)c1ccc(OC(C)=O)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCOC(=O)c2cccs2)cc1.CCC(CC(CC(C)c1ccc(OC(C)=O)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCc2ccccc2)cc1.CCC(CC(CC(C)c1ccc(OC(C)=O)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCc2ccccc2)cc1
InChIInChI=1S/C38H44O7S.C38H50O5.C38H44O5.C37H42O7S.C37H48O5.C37H42O5.C36H45NO6/c1-5-30(32-10-16-37(17-11-32)45-28(4)42-19-20-43-38(41)23-29-18-21-46-25-29)24-34(33-6-12-35(40)13-7-33)22-26(2)31-8-14-36(15-9-31)44-27(3)39;2*1-5-31(33-15-21-38(22-16-33)43-29(4)41-24-23-30-9-7-6-8-10-30)26-35(34-11-17-36(40)18-12-34)25-27(2)32-13-19-37(20-14-32)42-28(3)39;1-5-28(30-12-18-35(19-13-30)44-27(4)41-20-21-42-37(40)36-7-6-22-45-36)24-32(31-8-14-33(39)15-9-31)23-25(2)29-10-16-34(17-11-29)43-26(3)38;2*1-5-30(32-15-21-37(22-16-32)42-28(4)40-25-29-9-7-6-8-10-29)24-34(33-11-17-35(39)18-12-33)23-26(2)31-13-19-36(20-14-31)41-27(3)38;1-5-28(30-12-18-35(19-13-30)43-27(4)41-22-21-37-20-6-7-36(37)40)24-32(31-8-14-33(39)15-9-31)23-25(2)29-10-16-34(17-11-29)42-26(3)38/h6-18,21,25-26,28,30,34,40H,5,19-20,22-24H2,1-4H3;11-22,27,29-31,35,40H,5-10,23-26H2,1-4H3;6-22,27,29,31,35,40H,5,23-26H2,1-4H3;6-19,22,25,27-28,32,39H,5,20-21,23-24H2,1-4H3;11-22,26,28-30,34,39H,5-10,23-25H2,1-4H3;6-22,26,28,30,34,39H,5,23-25H2,1-4H3;8-19,25,27-28,32,39H,5-7,20-24H2,1-4H3
InChIKeyQZSFRLMZWQNRIK-UHFFFAOYSA-N
MW4170.49 g/mol
LogP62.82
Rot. Bonds106

About 2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl thiophene-2-carboxylate;2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 2-thiophen-3-ylacetate;[4-[6-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[6-[4-[1-(cyclohexylmethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-(2-phenylethoxy)ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-(1-phenylmethoxyethoxy)phenyl]octan-2-yl]phenyl] acetate

2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl thiophene-2-carboxylate;2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 2-thiophen-3-ylacetate;[4-[6-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[6-[4-[1-(cyclohexylmethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-(2-phenylethoxy)ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-(1-phenylmethoxyethoxy)phenyl]octan-2-yl]phenyl] acetate (PubChem CID 160564238) has the molecular formula C261H315NO40S2 and a molecular weight of 4170.49 g/mol. Its IUPAC name is 2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl thiophene-2-carboxylate;2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 2-thiophen-3-ylacetate;[4-[6-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[6-[4-[1-(cyclohexylmethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-(2-phenylethoxy)ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-(1-phenylmethoxyethoxy)phenyl]octan-2-yl]phenyl] acetate.

Molecular Properties

Compound Name2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl thiophene-2-carboxylate;2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 2-thiophen-3-ylacetate;[4-[6-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[6-[4-[1-(cyclohexylmethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-(2-phenylethoxy)ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-(1-phenylmethoxyethoxy)phenyl]octan-2-yl]phenyl] acetate
PubChem CID160564238
Molecular FormulaC261H315NO40S2
Molecular Weight4170.49 g/mol
Exact Mass4167.21
IUPAC Name2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl thiophene-2-carboxylate;2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 2-thiophen-3-ylacetate;[4-[6-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[6-[4-[1-(cyclohexylmethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-(2-phenylethoxy)ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-(1-phenylmethoxyethoxy)phenyl]octan-2-yl]phenyl] acetate
SMILESCCC(CC(CC(C)c1ccc(OC(C)=O)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCC2CCCCC2)cc1.CCC(CC(CC(C)c1ccc(OC(C)=O)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCC2CCCCC2)cc1.CCC(CC(CC(C)c1ccc(OC(C)=O)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCN2CCCC2=O)cc1.CCC(CC(CC(C)c1ccc(OC(C)=O)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCOC(=O)Cc2ccsc2)cc1.CCC(CC(CC(C)c1ccc(OC(C)=O)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCOC(=O)c2cccs2)cc1.CCC(CC(CC(C)c1ccc(OC(C)=O)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCc2ccccc2)cc1.CCC(CC(CC(C)c1ccc(OC(C)=O)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCc2ccccc2)cc1
InChIInChI=1S/C38H44O7S.C38H50O5.C38H44O5.C37H42O7S.C37H48O5.C37H42O5.C36H45NO6/c1-5-30(32-10-16-37(17-11-32)45-28(4)42-19-20-43-38(41)23-29-18-21-46-25-29)24-34(33-6-12-35(40)13-7-33)22-26(2)31-8-14-36(15-9-31)44-27(3)39;2*1-5-31(33-15-21-38(22-16-33)43-29(4)41-24-23-30-9-7-6-8-10-30)26-35(34-11-17-36(40)18-12-34)25-27(2)32-13-19-37(20-14-32)42-28(3)39;1-5-28(30-12-18-35(19-13-30)44-27(4)41-20-21-42-37(40)36-7-6-22-45-36)24-32(31-8-14-33(39)15-9-31)23-25(2)29-10-16-34(17-11-29)43-26(3)38;2*1-5-30(32-15-21-37(22-16-32)42-28(4)40-25-29-9-7-6-8-10-29)24-34(33-11-17-35(39)18-12-33)23-26(2)31-13-19-36(20-14-31)41-27(3)38;1-5-28(30-12-18-35(19-13-30)43-27(4)41-22-21-37-20-6-7-36(37)40)24-32(31-8-14-33(39)15-9-31)23-25(2)29-10-16-34(17-11-29)42-26(3)38/h6-18,21,25-26,28,30,34,40H,5,19-20,22-24H2,1-4H3;11-22,27,29-31,35,40H,5-10,23-26H2,1-4H3;6-22,27,29,31,35,40H,5,23-26H2,1-4H3;6-19,22,25,27-28,32,39H,5,20-21,23-24H2,1-4H3;11-22,26,28-30,34,39H,5-10,23-25H2,1-4H3;6-22,26,28,30,34,39H,5,23-25H2,1-4H3;8-19,25,27-28,32,39H,5-7,20-24H2,1-4H3
InChIKeyQZSFRLMZWQNRIK-UHFFFAOYSA-N
XLogP62.82
TPSA527.84 Ų
H-Bond Donors7
H-Bond Acceptors42
Rotatable Bonds106
Heavy Atoms304
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004170.49
LogP ≤ 562.82
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl thiophene-2-carboxylate;2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 2-thiophen-3-ylacetate;[4-[6-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[6-[4-[1-(cyclohexylmethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-(2-phenylethoxy)ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-(1-phenylmethoxyethoxy)phenyl]octan-2-yl]phenyl] acetate with MolForge

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Launch Full Analysis

Related Compounds

2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 4-butylcyclohexane-1-carboxylate;4-butan-2-ylphenol;4-[2-(4-tert-butylphenyl)-6-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]octan-4-yl]phenol;4-[2-(4-tert-butylphenyl)-6-[4-[1-(2-cyclohexylsulfanylethoxy)ethoxy]phenyl]octan-4-yl]phenol;2-[1-[4-[7-(4-tert-butylphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 4-butylcyclohexane-1-carboxylate;2-[1-[4-[7-(4-tert-butylphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 4-tert-butylcyclohexane-1-carboxylate;2-[1-[4-[7-(4-tert-butylphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl thiophene-2-carboxylate;3-methylpentan-2-one
CID 160970932
1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-(2-cyclohexylsulfanylethoxy)ethoxy]benzene;tris(4-butan-2-ylphenol);bis((4-butan-2-ylphenyl) acetate);1-butan-2-yl-4-(1-phenylmethoxyethoxy)benzene
CID 158900602
2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 4-tert-butylcyclohexane-1-carboxylate
CID 18724486
4-[4-(4-tert-butylphenyl)-8-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-6-(4-propan-2-yloxyphenyl)decan-2-yl]phenol
CID 20758424
tert-butyl 2-ethyl-8-(4-hydroxyphenyl)-6-[4-[1-[[4-[1-[4-[2-(4-hydroxyphenyl)-8-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenyldecan-4-yl]phenoxy]ethoxymethyl]cyclohexyl]methoxy]ethoxy]phenyl]-4-phenylnonanoate
CID 59872852
tert-butyl [4-[6-[4-(1-cyclohexyloxyethoxy)phenyl]-2-(4-hydroxyphenyl)octan-4-yl]phenyl] carbonate
CID 54370516
4-butan-2-ylphenol;1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane;1-butan-2-yl-4-phenylmethoxybenzene
CID 157125767
1-[(2R)-butan-2-yl]-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 89233855
1-butan-2-yl-4-[cyclohexylmethoxy-(1-methylcyclohexyl)methoxy]benzene;1-butan-2-yl-4-(2,2-dimethyl-1-phenylmethoxybutoxy)benzene;tetrakis(4-butan-2-ylphenol);1-[2-[1-(4-butan-2-ylphenoxy)-2,2-dimethylbutoxy]ethyl]naphthalene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]adamantane
CID 158266175
[4-[2-(4-hydroxyphenyl)-6-phenyloctan-4-yl]phenyl] 2,2-dimethylpropanoate
CID 54232468
tert-butyl [4-[5-[4-(1-ethoxyethoxy)phenyl]-9-(4-ethylphenyl)-7,11-bis(4-hydroxyphenyl)dodecan-3-yl]phenyl] carbonate
CID 22088342
4-[4-[4-(1-methoxyethoxy)phenyl]-6-[4-[1-(trimethylsilylmethoxy)ethoxy]phenyl]octan-2-yl]phenol
CID 59058324

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl thiophene-2-carboxylate;2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 2-thiophen-3-ylacetate;[4-[6-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[6-[4-[1-(cyclohexylmethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-(2-phenylethoxy)ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-(1-phenylmethoxyethoxy)phenyl]octan-2-yl]phenyl] acetate?
The IUPAC name of 2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl thiophene-2-carboxylate;2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 2-thiophen-3-ylacetate;[4-[6-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[6-[4-[1-(cyclohexylmethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-(2-phenylethoxy)ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-(1-phenylmethoxyethoxy)phenyl]octan-2-yl]phenyl] acetate (CID 160564238) is 2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl thiophene-2-carboxylate;2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 2-thiophen-3-ylacetate;[4-[6-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[6-[4-[1-(cyclohexylmethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-(2-phenylethoxy)ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-(1-phenylmethoxyethoxy)phenyl]octan-2-yl]phenyl] acetate.
What is the SMILES notation for 2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl thiophene-2-carboxylate;2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 2-thiophen-3-ylacetate;[4-[6-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[6-[4-[1-(cyclohexylmethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-(2-phenylethoxy)ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-(1-phenylmethoxyethoxy)phenyl]octan-2-yl]phenyl] acetate?
The canonical SMILES for 2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl thiophene-2-carboxylate;2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 2-thiophen-3-ylacetate;[4-[6-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[6-[4-[1-(cyclohexylmethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-(2-phenylethoxy)ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-(1-phenylmethoxyethoxy)phenyl]octan-2-yl]phenyl] acetate is CCC(CC(CC(C)c1ccc(OC(C)=O)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCC2CCCCC2)cc1.CCC(CC(CC(C)c1ccc(OC(C)=O)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCC2CCCCC2)cc1.CCC(CC(CC(C)c1ccc(OC(C)=O)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCN2CCCC2=O)cc1.CCC(CC(CC(C)c1ccc(OC(C)=O)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCOC(=O)Cc2ccsc2)cc1.CCC(CC(CC(C)c1ccc(OC(C)=O)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCOC(=O)c2cccs2)cc1.CCC(CC(CC(C)c1ccc(OC(C)=O)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCc2ccccc2)cc1.CCC(CC(CC(C)c1ccc(OC(C)=O)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCc2ccccc2)cc1.
What is the InChIKey of 2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl thiophene-2-carboxylate;2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 2-thiophen-3-ylacetate;[4-[6-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[6-[4-[1-(cyclohexylmethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-(2-phenylethoxy)ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-(1-phenylmethoxyethoxy)phenyl]octan-2-yl]phenyl] acetate?
The InChIKey is QZSFRLMZWQNRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44O7S.C38H50O5.C38H44O5.C37H42O7S.C37H48O5.C37H42O5.C36H45NO6/c1-5-30(32-10-16-37(17-11-32)45-28(4)42-19-20-43-38(41)23-29-18-21-46-25-29)24-34(33-6-12-35(40)13-7-33)22-26(2)31-8-14-36(15-9-31)44-27(3)39;2*1-5-31(33-15-21-38(22-16-33)43-29(4)41-24-23-30-9-7-6-8-10-30)26-35(34-11-17-36(40)18-12-34)25-27(2)32-13-19-37(20-14-32)42-28(3)39;1-5-28(30-12-18-35(19-13-30)44-27(4)41-20-21-42-37(40)36-7-6-22-45-36)24-32(31-8-14-33(39)15-9-31)23-25(2)29-10-16-34(17-11-29)43-26(3)38;2*1-5-30(32-15-21-37(22-16-32)42-28(4)40-25-29-9-7-6-8-10-29)24-34(33-11-17-35(39)18-12-33)23-26(2)31-13-19-36(20-14-31)41-27(3)38;1-5-28(30-12-18-35(19-13-30)43-27(4)41-22-21-37-20-6-7-36(37)40)24-32(31-8-14-33(39)15-9-31)23-25(2)29-10-16-34(17-11-29)42-26(3)38/h6-18,21,25-26,28,30,34,40H,5,19-20,22-24H2,1-4H3;11-22,27,29-31,35,40H,5-10,23-26H2,1-4H3;6-22,27,29,31,35,40H,5,23-26H2,1-4H3;6-19,22,25,27-28,32,39H,5,20-21,23-24H2,1-4H3;11-22,26,28-30,34,39H,5-10,23-25H2,1-4H3;6-22,26,28,30,34,39H,5,23-25H2,1-4H3;8-19,25,27-28,32,39H,5-7,20-24H2,1-4H3.
What are the key properties of 2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl thiophene-2-carboxylate;2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 2-thiophen-3-ylacetate;[4-[6-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[6-[4-[1-(cyclohexylmethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-(2-phenylethoxy)ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-(1-phenylmethoxyethoxy)phenyl]octan-2-yl]phenyl] acetate?
2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl thiophene-2-carboxylate;2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 2-thiophen-3-ylacetate;[4-[6-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[6-[4-[1-(cyclohexylmethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-(2-phenylethoxy)ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-(1-phenylmethoxyethoxy)phenyl]octan-2-yl]phenyl] acetate has a molecular weight of 4170.49 g/mol, XLogP of 62.82, 106 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl thiophene-2-carboxylate;2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 2-thiophen-3-ylacetate;[4-[6-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[6-[4-[1-(cyclohexylmethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-(2-phenylethoxy)ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-(1-phenylmethoxyethoxy)phenyl]octan-2-yl]phenyl] acetate is sourced from PubChem (CID 160564238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).