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

C268H372O30S2 — CID 160970932

IUPAC2-[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
SMILESCCC(C)C(C)=O.CCC(C)c1ccc(O)cc1.CCC(CC(CC(C)c1ccc(C(C)(C)C)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCC2CCCCC2)cc1.CCC(CC(CC(C)c1ccc(C(C)(C)C)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCOC(=O)C2CCC(C(C)(C)C)CC2)cc1.CCC(CC(CC(C)c1ccc(C(C)(C)C)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCOC(=O)c2cccs2)cc1.CCC(CC(CC(C)c1ccc(C(C)(C)C)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCSC2CCCCC2)cc1.CCCCC1CCC(C(=O)OCCOC(C)Oc2ccc(C(CC)CC(CC(C)c3ccc(C(C)(C)C)cc3)c3ccc(O)cc3)cc2)CC1.CCCCC1CCC(C(=O)OCCOC(C)Oc2ccc(C(CC)CC(CC(C)c3ccc(OC(C)=O)cc3)c3ccc(O)cc3)cc2)CC1
InChIInChI=1S/2C45H64O5.C43H58O7.C40H56O3S.C40H56O3.C39H48O5S.C10H14O.C6H12O/c1-10-33(30-38(36-15-23-41(46)24-16-36)29-31(2)34-11-19-39(20-12-34)44(4,5)6)35-17-25-42(26-18-35)50-32(3)48-27-28-49-43(47)37-13-21-40(22-14-37)45(7,8)9;1-8-10-11-34-12-14-39(15-13-34)44(47)49-29-28-48-33(4)50-43-26-20-37(21-27-43)35(9-2)31-40(38-18-24-42(46)25-19-38)30-32(3)36-16-22-41(23-17-36)45(5,6)7;1-6-8-9-33-10-12-38(13-11-33)43(46)48-27-26-47-32(5)50-42-24-18-36(19-25-42)34(7-2)29-39(37-14-20-40(45)21-15-37)28-30(3)35-16-22-41(23-17-35)49-31(4)44;1-7-31(33-17-23-38(24-18-33)43-30(3)42-25-26-44-39-11-9-8-10-12-39)28-35(34-15-21-37(41)22-16-34)27-29(2)32-13-19-36(20-14-32)40(4,5)6;1-7-32(34-17-23-39(24-18-34)43-30(3)42-26-25-31-11-9-8-10-12-31)28-36(35-15-21-38(41)22-16-35)27-29(2)33-13-19-37(20-14-33)40(4,5)6;1-7-29(31-14-20-36(21-15-31)44-28(3)42-22-23-43-38(41)37-9-8-24-45-37)26-33(32-12-18-35(40)19-13-32)25-27(2)30-10-16-34(17-11-30)39(4,5)6;1-3-8(2)9-4-6-10(11)7-5-9;1-4-5(2)6(3)7/h11-12,15-20,23-26,31-33,37-38,40,46H,10,13-14,21-22,27-30H2,1-9H3;16-27,32-35,39-40,46H,8-15,28-31H2,1-7H3;14-25,30,32-34,38-39,45H,6-13,26-29H2,1-5H3;13-24,29-31,35,39,41H,7-12,25-28H2,1-6H3;13-24,29-32,36,41H,7-12,25-28H2,1-6H3;8-21,24,27-29,33,40H,7,22-23,25-26H2,1-6H3;4-8,11H,3H2,1-2H3;5H,4H2,1-3H3
InChIKeySYFWYODRBUDOSR-UHFFFAOYSA-N
MW4138.03 g/mol
LogP71.34
Rot. Bonds100

About 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

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 (PubChem CID 160970932) has the molecular formula C268H372O30S2 and a molecular weight of 4138.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID160970932
Molecular FormulaC268H372O30S2
Molecular Weight4138.03 g/mol
Exact Mass4134.70
IUPAC Name2-[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
SMILESCCC(C)C(C)=O.CCC(C)c1ccc(O)cc1.CCC(CC(CC(C)c1ccc(C(C)(C)C)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCC2CCCCC2)cc1.CCC(CC(CC(C)c1ccc(C(C)(C)C)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCOC(=O)C2CCC(C(C)(C)C)CC2)cc1.CCC(CC(CC(C)c1ccc(C(C)(C)C)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCOC(=O)c2cccs2)cc1.CCC(CC(CC(C)c1ccc(C(C)(C)C)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCSC2CCCCC2)cc1.CCCCC1CCC(C(=O)OCCOC(C)Oc2ccc(C(CC)CC(CC(C)c3ccc(C(C)(C)C)cc3)c3ccc(O)cc3)cc2)CC1.CCCCC1CCC(C(=O)OCCOC(C)Oc2ccc(C(CC)CC(CC(C)c3ccc(OC(C)=O)cc3)c3ccc(O)cc3)cc2)CC1
InChIInChI=1S/2C45H64O5.C43H58O7.C40H56O3S.C40H56O3.C39H48O5S.C10H14O.C6H12O/c1-10-33(30-38(36-15-23-41(46)24-16-36)29-31(2)34-11-19-39(20-12-34)44(4,5)6)35-17-25-42(26-18-35)50-32(3)48-27-28-49-43(47)37-13-21-40(22-14-37)45(7,8)9;1-8-10-11-34-12-14-39(15-13-34)44(47)49-29-28-48-33(4)50-43-26-20-37(21-27-43)35(9-2)31-40(38-18-24-42(46)25-19-38)30-32(3)36-16-22-41(23-17-36)45(5,6)7;1-6-8-9-33-10-12-38(13-11-33)43(46)48-27-26-47-32(5)50-42-24-18-36(19-25-42)34(7-2)29-39(37-14-20-40(45)21-15-37)28-30(3)35-16-22-41(23-17-35)49-31(4)44;1-7-31(33-17-23-38(24-18-33)43-30(3)42-25-26-44-39-11-9-8-10-12-39)28-35(34-15-21-37(41)22-16-34)27-29(2)32-13-19-36(20-14-32)40(4,5)6;1-7-32(34-17-23-39(24-18-34)43-30(3)42-26-25-31-11-9-8-10-12-31)28-36(35-15-21-38(41)22-16-35)27-29(2)33-13-19-37(20-14-33)40(4,5)6;1-7-29(31-14-20-36(21-15-31)44-28(3)42-22-23-43-38(41)37-9-8-24-45-37)26-33(32-12-18-35(40)19-13-32)25-27(2)30-10-16-34(17-11-30)39(4,5)6;1-3-8(2)9-4-6-10(11)7-5-9;1-4-5(2)6(3)7/h11-12,15-20,23-26,31-33,37-38,40,46H,10,13-14,21-22,27-30H2,1-9H3;16-27,32-35,39-40,46H,8-15,28-31H2,1-7H3;14-25,30,32-34,38-39,45H,6-13,26-29H2,1-5H3;13-24,29-31,35,39,41H,7-12,25-28H2,1-6H3;13-24,29-32,36,41H,7-12,25-28H2,1-6H3;8-21,24,27-29,33,40H,7,22-23,25-26H2,1-6H3;4-8,11H,3H2,1-2H3;5H,4H2,1-3H3
InChIKeySYFWYODRBUDOSR-UHFFFAOYSA-N
XLogP71.34
TPSA400.94 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds100
Heavy Atoms300
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004138.03
LogP ≤ 571.34
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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 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 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-tert-butylcyclohexane-1-carboxylate
CID 18724486
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
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
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 6-[4-(1-butoxyethoxy)phenyl]-2-ethyl-4-(4-hydroxyphenyl)heptanoate
CID 156673787
1-[(2R)-butan-2-yl]-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 89233855
tert-butyl [4-[6-[4-(1-cyclohexyloxyethoxy)phenyl]-2-(4-hydroxyphenyl)octan-4-yl]phenyl] carbonate
CID 54370516
1-butan-2-yl-4-tert-butylbenzene;bis(1-butan-2-yl-4-[1-(cyclohexylmethoxy)ethoxy]benzene);pentakis(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)-trimethylsilane;(4-butan-2-ylphenyl) acetate;(4-butan-2-ylphenyl) tert-butyl carbonate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate
CID 158906861
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
1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;tris(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)-methoxymethanol;tert-butyl 2-methylbutanoate
CID 161095237
1-butan-2-yl-4-(4,4-dimethylpentan-2-yloxy)benzene;tris(1-butan-2-yl-4-(1-ethoxyethoxy)benzene);1-butan-2-yl-4-(1-ethoxypropoxy)benzene;pentakis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl thiophene-2-carboxylate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate;tert-butyl 2-methylbutanoate;methane
CID 159840812
tert-butyl [4-[5-[4-(1-ethoxyethoxy)phenyl]-9-(4-ethylphenyl)-7,11-bis(4-hydroxyphenyl)dodecan-3-yl]phenyl] carbonate
CID 22088342

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(C)C(C)=O.CCC(C)c1ccc(O)cc1.CCC(CC(CC(C)c1ccc(C(C)(C)C)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCC2CCCCC2)cc1.CCC(CC(CC(C)c1ccc(C(C)(C)C)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCOC(=O)C2CCC(C(C)(C)C)CC2)cc1.CCC(CC(CC(C)c1ccc(C(C)(C)C)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCOC(=O)c2cccs2)cc1.CCC(CC(CC(C)c1ccc(C(C)(C)C)cc1)c1ccc(O)cc1)c1ccc(OC(C)OCCSC2CCCCC2)cc1.CCCCC1CCC(C(=O)OCCOC(C)Oc2ccc(C(CC)CC(CC(C)c3ccc(C(C)(C)C)cc3)c3ccc(O)cc3)cc2)CC1.CCCCC1CCC(C(=O)OCCOC(C)Oc2ccc(C(CC)CC(CC(C)c3ccc(OC(C)=O)cc3)c3ccc(O)cc3)cc2)CC1.
What is the InChIKey of 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?
The InChIKey is SYFWYODRBUDOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H64O5.C43H58O7.C40H56O3S.C40H56O3.C39H48O5S.C10H14O.C6H12O/c1-10-33(30-38(36-15-23-41(46)24-16-36)29-31(2)34-11-19-39(20-12-34)44(4,5)6)35-17-25-42(26-18-35)50-32(3)48-27-28-49-43(47)37-13-21-40(22-14-37)45(7,8)9;1-8-10-11-34-12-14-39(15-13-34)44(47)49-29-28-48-33(4)50-43-26-20-37(21-27-43)35(9-2)31-40(38-18-24-42(46)25-19-38)30-32(3)36-16-22-41(23-17-36)45(5,6)7;1-6-8-9-33-10-12-38(13-11-33)43(46)48-27-26-47-32(5)50-42-24-18-36(19-25-42)34(7-2)29-39(37-14-20-40(45)21-15-37)28-30(3)35-16-22-41(23-17-35)49-31(4)44;1-7-31(33-17-23-38(24-18-33)43-30(3)42-25-26-44-39-11-9-8-10-12-39)28-35(34-15-21-37(41)22-16-34)27-29(2)32-13-19-36(20-14-32)40(4,5)6;1-7-32(34-17-23-39(24-18-34)43-30(3)42-26-25-31-11-9-8-10-12-31)28-36(35-15-21-38(41)22-16-35)27-29(2)33-13-19-37(20-14-33)40(4,5)6;1-7-29(31-14-20-36(21-15-31)44-28(3)42-22-23-43-38(41)37-9-8-24-45-37)26-33(32-12-18-35(40)19-13-32)25-27(2)30-10-16-34(17-11-30)39(4,5)6;1-3-8(2)9-4-6-10(11)7-5-9;1-4-5(2)6(3)7/h11-12,15-20,23-26,31-33,37-38,40,46H,10,13-14,21-22,27-30H2,1-9H3;16-27,32-35,39-40,46H,8-15,28-31H2,1-7H3;14-25,30,32-34,38-39,45H,6-13,26-29H2,1-5H3;13-24,29-31,35,39,41H,7-12,25-28H2,1-6H3;13-24,29-32,36,41H,7-12,25-28H2,1-6H3;8-21,24,27-29,33,40H,7,22-23,25-26H2,1-6H3;4-8,11H,3H2,1-2H3;5H,4H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 4138.03 g/mol, XLogP of 71.34, 100 rotatable bonds, 7 hydrogen bond donors, and 32 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 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 is sourced from PubChem (CID 160970932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).