2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol;2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol;butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

C151H236O15S — CID 165107647

IUPAC2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol;2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol;butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCc1cc(Cc2cc(CC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1C
InChIInChI=1S/C35H62O3.C25H42O3.C25H36O2.C23H32O2.C22H30O2S.C21H34O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7;1-8-9-10-11-12-13-16-28-22(26)15-14-19-17-20(24(2,3)4)23(27)21(18-19)25(5,6)7;1-9-16-11-18(22(26)20(13-16)24(3,4)5)15-19-12-17(10-2)14-21(23(19)27)25(6,7)8;1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8;1-13-9-17(23)15(21(3,4)5)11-19(13)25-20-12-16(22(6,7)8)18(24)10-14(20)2;1-8-9-12-24-18(22)11-10-15-13-16(20(2,3)4)19(23)17(14-15)21(5,6)7/h27-28,37H,8-26H2,1-7H3;17-18,27H,8-16H2,1-7H3;11-14,26-27H,9-10,15H2,1-8H3;9-12,24-25H,13H2,1-8H3;9-12,23-24H,1-8H3;13-14,23H,8-12H2,1-7H3
InChIKeyZKKDOSLIRQJHHE-UHFFFAOYSA-N
MW2323.60 g/mol
LogP41.58
Rot. Bonds44

About 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol;2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol;butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol;2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol;butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate (PubChem CID 165107647) has the molecular formula C151H236O15S and a molecular weight of 2323.60 g/mol. Its IUPAC name is 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol;2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol;butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol;2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol;butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
PubChem CID165107647
Molecular FormulaC151H236O15S
Molecular Weight2323.60 g/mol
Exact Mass2321.74
IUPAC Name2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol;2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol;butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCc1cc(Cc2cc(CC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1C
InChIInChI=1S/C35H62O3.C25H42O3.C25H36O2.C23H32O2.C22H30O2S.C21H34O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7;1-8-9-10-11-12-13-16-28-22(26)15-14-19-17-20(24(2,3)4)23(27)21(18-19)25(5,6)7;1-9-16-11-18(22(26)20(13-16)24(3,4)5)15-19-12-17(10-2)14-21(23(19)27)25(6,7)8;1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8;1-13-9-17(23)15(21(3,4)5)11-19(13)25-20-12-16(22(6,7)8)18(24)10-14(20)2;1-8-9-12-24-18(22)11-10-15-13-16(20(2,3)4)19(23)17(14-15)21(5,6)7/h27-28,37H,8-26H2,1-7H3;17-18,27H,8-16H2,1-7H3;11-14,26-27H,9-10,15H2,1-8H3;9-12,24-25H,13H2,1-8H3;9-12,23-24H,1-8H3;13-14,23H,8-12H2,1-7H3
InChIKeyZKKDOSLIRQJHHE-UHFFFAOYSA-N
XLogP41.58
TPSA260.97 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds44
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002323.60
LogP ≤ 541.58
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol;2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol;butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate with MolForge

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Related Compounds

2,6-ditert-butyl-4-methylphenol;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 88606677
hexyl 3-[3-tert-butyl-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-hydroxyphenyl]propanoate
CID 175394053
pentadecyl 3-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate
CID 118862212
octadecyl 3-[3-tert-butyl-5-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4-hydroxyphenyl]propanoate
CID 156861639
2-tert-butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenol;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 123299017
tetradecyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
CID 118862021
methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 88503135
2-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol;octadecyl 3-(4-hydroxy-3,5-dimethylphenyl)propanoate
CID 91018699
dodecyl 3-(5-tert-butyl-4-hydroxy-2-methylphenyl)propanoate
CID 21446624
butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methane
CID 160740972
4-[[3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2,6-ditert-butylphenol;2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol;[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2-methyl-4,6-bis(octylsulfanylmethyl)phenol
CID 159158102
4-[3-[3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-5-(dodecylsulfanylmethyl)-4-hydroxyphenyl]propanoyloxy]butyl 3-[3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-5-(dodecylsulfanylmethyl)-4-hydroxyphenyl]propanoate
CID 169276219

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol;2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol;butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
The IUPAC name of 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol;2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol;butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate (CID 165107647) is 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol;2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol;butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.
What is the SMILES notation for 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol;2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol;butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
The canonical SMILES for 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol;2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol;butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate is CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCc1cc(Cc2cc(CC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1C.
What is the InChIKey of 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol;2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol;butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
The InChIKey is ZKKDOSLIRQJHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H62O3.C25H42O3.C25H36O2.C23H32O2.C22H30O2S.C21H34O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7;1-8-9-10-11-12-13-16-28-22(26)15-14-19-17-20(24(2,3)4)23(27)21(18-19)25(5,6)7;1-9-16-11-18(22(26)20(13-16)24(3,4)5)15-19-12-17(10-2)14-21(23(19)27)25(6,7)8;1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8;1-13-9-17(23)15(21(3,4)5)11-19(13)25-20-12-16(22(6,7)8)18(24)10-14(20)2;1-8-9-12-24-18(22)11-10-15-13-16(20(2,3)4)19(23)17(14-15)21(5,6)7/h27-28,37H,8-26H2,1-7H3;17-18,27H,8-16H2,1-7H3;11-14,26-27H,9-10,15H2,1-8H3;9-12,24-25H,13H2,1-8H3;9-12,23-24H,1-8H3;13-14,23H,8-12H2,1-7H3.
What are the key properties of 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol;2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol;butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol;2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol;butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate has a molecular weight of 2323.60 g/mol, XLogP of 41.58, 44 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol;2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol;butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate is sourced from PubChem (CID 165107647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).