4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)-3-methylphenol

C30H46O2 — CID 11236289

IUPAC4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)-3-methylphenol
SMILESCc1c(C(C)(C)C)cc(C(C)(C)C)c(O)c1-c1c(C)c(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H46O2/c1-17-19(27(3,4)5)15-21(29(9,10)11)25(31)23(17)24-18(2)20(28(6,7)8)16-22(26(24)32)30(12,13)14/h15-16,31-32H,1-14H3
InChIKeyVLAOBBFZXPDANS-UHFFFAOYSA-N
MW438.70 g/mol
LogP8.57
Rot. Bonds1

About 4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)-3-methylphenol

4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)-3-methylphenol (PubChem CID 11236289) has the molecular formula C30H46O2 and a molecular weight of 438.70 g/mol. Its IUPAC name is 4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)-3-methylphenol.

Molecular Properties

Compound Name4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)-3-methylphenol
PubChem CID11236289
Molecular FormulaC30H46O2
Molecular Weight438.70 g/mol
Exact Mass438.35
IUPAC Name4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)-3-methylphenol
SMILESCc1c(C(C)(C)C)cc(C(C)(C)C)c(O)c1-c1c(C)c(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H46O2/c1-17-19(27(3,4)5)15-21(29(9,10)11)25(31)23(17)24-18(2)20(28(6,7)8)16-22(26(24)32)30(12,13)14/h15-16,31-32H,1-14H3
InChIKeyVLAOBBFZXPDANS-UHFFFAOYSA-N
XLogP8.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.70
LogP ≤ 58.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
dilithium;4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-6-oxidophenyl)-3-methylphenolate
CID 11236288
6-tert-butyl-2,3,4-trimethylphenol;2,6-ditert-butyl-4-methylphenol;methane
CID 159742273
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
CID 87485865
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
CID 87931050
2,4-ditert-butyl-5-methylphenol
CID 10346
4,6-ditert-butyl-2-(3,5-ditert-butyl-2,6-dihydroxyphenyl)benzene-1,3-diol;2-(2,6-dihydroxyphenyl)benzene-1,3-diol;2-methylprop-1-ene
CID 160896399
4-[3,5-bis(3,5-ditert-butyl-4-hydroxyphenyl)-4-methylphenyl]-2,6-ditert-butylphenol
CID 141055802
2,4-ditert-butyl-5-methylphenol;titanium
CID 174406764
CID 135046337
CID 135046337

Frequently Asked Questions

What is the IUPAC name of 4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)-3-methylphenol?
The IUPAC name of 4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)-3-methylphenol (CID 11236289) is 4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)-3-methylphenol.
What is the SMILES notation for 4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)-3-methylphenol?
The canonical SMILES for 4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)-3-methylphenol is Cc1c(C(C)(C)C)cc(C(C)(C)C)c(O)c1-c1c(C)c(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)-3-methylphenol?
The InChIKey is VLAOBBFZXPDANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46O2/c1-17-19(27(3,4)5)15-21(29(9,10)11)25(31)23(17)24-18(2)20(28(6,7)8)16-22(26(24)32)30(12,13)14/h15-16,31-32H,1-14H3.
What are the key properties of 4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)-3-methylphenol?
4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)-3-methylphenol has a molecular weight of 438.70 g/mol, XLogP of 8.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)-3-methylphenol is sourced from PubChem (CID 11236289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).