2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol

C46H62O4 — CID 22725885

IUPAC2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol
SMILESCc1cc(C(c2cc(C)c(O)c(C(C)(C)C)c2)C(c2cc(C)c(O)c(C(C)(C)C)c2)c2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C46H62O4/c1-25-17-29(21-33(39(25)47)43(5,6)7)37(30-18-26(2)40(48)34(22-30)44(8,9)10)38(31-19-27(3)41(49)35(23-31)45(11,12)13)32-20-28(4)42(50)36(24-32)46(14,15)16/h17-24,37-38,47-50H,1-16H3
InChIKeyRHJNHPISWSNYOC-UHFFFAOYSA-N
MW679.00 g/mol
LogP11.90
Rot. Bonds5

About 2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol

2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol (PubChem CID 22725885) has the molecular formula C46H62O4 and a molecular weight of 679.00 g/mol. Its IUPAC name is 2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol
PubChem CID22725885
Molecular FormulaC46H62O4
Molecular Weight679.00 g/mol
Exact Mass678.46
IUPAC Name2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol
SMILESCc1cc(C(c2cc(C)c(O)c(C(C)(C)C)c2)C(c2cc(C)c(O)c(C(C)(C)C)c2)c2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C46H62O4/c1-25-17-29(21-33(39(25)47)43(5,6)7)37(30-18-26(2)40(48)34(22-30)44(8,9)10)38(31-19-27(3)41(49)35(23-31)45(11,12)13)32-20-28(4)42(50)36(24-32)46(14,15)16/h17-24,37-38,47-50H,1-16H3
InChIKeyRHJNHPISWSNYOC-UHFFFAOYSA-N
XLogP11.90
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.00
LogP ≤ 511.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 22725873
2,2-bis(3-tert-butyl-4-hydroxy-5-methylphenyl)acetic acid
CID 21455364
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
CID 22019961
2-tert-butyl-4,6-dimethylphenol
CID 87814182
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-methylphenyl)propyl]-6-methylphenol;2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 160596622
ethyl 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxyacetate
CID 117420045
2-tert-butyl-4-[(E)-2-(3-tert-butyl-4-hydroxy-5-methylphenyl)ethenyl]-6-methylphenol
CID 22321426
2-tert-butyl-4-(1-chloro-2-phenylethyl)-6-methylphenol;sulfane
CID 174778853
2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol
CID 22725890
2-tert-butyl-4-[(3-tert-butyl-4-hydroxy-5-methylphenyl)-dihydroxy-oxo-λ6-sulfanyl]-6-methylphenol
CID 88811570
2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol
CID 20689836
ethyl (2R)-2-amino-3,3-bis(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 92844540

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol?
The IUPAC name of 2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol (CID 22725885) is 2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol?
The canonical SMILES for 2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol is Cc1cc(C(c2cc(C)c(O)c(C(C)(C)C)c2)C(c2cc(C)c(O)c(C(C)(C)C)c2)c2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol?
The InChIKey is RHJNHPISWSNYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H62O4/c1-25-17-29(21-33(39(25)47)43(5,6)7)37(30-18-26(2)40(48)34(22-30)44(8,9)10)38(31-19-27(3)41(49)35(23-31)45(11,12)13)32-20-28(4)42(50)36(24-32)46(14,15)16/h17-24,37-38,47-50H,1-16H3.
What are the key properties of 2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol?
2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol has a molecular weight of 679.00 g/mol, XLogP of 11.90, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol is sourced from PubChem (CID 22725885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).