2,6-ditert-butyl-3-[4-(2,4-ditert-butyl-3-hydroxyphenyl)butyl]phenol

C32H50O2 — CID 141434807

IUPAC2,6-ditert-butyl-3-[4-(2,4-ditert-butyl-3-hydroxyphenyl)butyl]phenol
SMILESCC(C)(C)c1ccc(CCCCc2ccc(C(C)(C)C)c(O)c2C(C)(C)C)c(C(C)(C)C)c1O
InChIInChI=1S/C32H50O2/c1-29(2,3)23-19-17-21(25(27(23)33)31(7,8)9)15-13-14-16-22-18-20-24(30(4,5)6)28(34)26(22)32(10,11)12/h17-20,33-34H,13-16H2,1-12H3
InChIKeyJISRFBWKAANDIG-UHFFFAOYSA-N
MW466.75 g/mol
LogP8.85
Rot. Bonds5

About 2,6-ditert-butyl-3-[4-(2,4-ditert-butyl-3-hydroxyphenyl)butyl]phenol

2,6-ditert-butyl-3-[4-(2,4-ditert-butyl-3-hydroxyphenyl)butyl]phenol (PubChem CID 141434807) has the molecular formula C32H50O2 and a molecular weight of 466.75 g/mol. Its IUPAC name is 2,6-ditert-butyl-3-[4-(2,4-ditert-butyl-3-hydroxyphenyl)butyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-3-[4-(2,4-ditert-butyl-3-hydroxyphenyl)butyl]phenol
PubChem CID141434807
Molecular FormulaC32H50O2
Molecular Weight466.75 g/mol
Exact Mass466.38
IUPAC Name2,6-ditert-butyl-3-[4-(2,4-ditert-butyl-3-hydroxyphenyl)butyl]phenol
SMILESCC(C)(C)c1ccc(CCCCc2ccc(C(C)(C)C)c(O)c2C(C)(C)C)c(C(C)(C)C)c1O
InChIInChI=1S/C32H50O2/c1-29(2,3)23-19-17-21(25(27(23)33)31(7,8)9)15-13-14-16-22-18-20-24(30(4,5)6)28(34)26(22)32(10,11)12/h17-20,33-34H,13-16H2,1-12H3
InChIKeyJISRFBWKAANDIG-UHFFFAOYSA-N
XLogP8.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.75
LogP ≤ 58.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-ditert-butyl-6-octylphenol
CID 101292747
2,3-ditert-butyl-6-(chloromethyl)phenol
CID 141290648
2,3-ditert-butyl-4-heptylphenol
CID 141294760
2-tert-butyl-6-pentadecylphenol
CID 151192860
(2,2,6,6-tetramethylpiperidin-1-yl) 3-(2,4-ditert-butyl-3-hydroxyphenyl)propanoate
CID 174676662
2,6-ditert-butyl-3-[2-(2,4-ditert-butyl-3-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol
CID 22365721
4-(3-tert-butyl-2-hydroxyphenyl)butanoic acid
CID 117345129
6-butyl-2-tert-butyl-3-methylphenol
CID 154177519
2-tert-butyl-3-nonylphenol
CID 150872346
2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol
CID 21053639
2,4-ditert-butyl-3-hydroxybenzenecarbothioamide
CID 87957925
2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol
CID 24841439

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-3-[4-(2,4-ditert-butyl-3-hydroxyphenyl)butyl]phenol?
The IUPAC name of 2,6-ditert-butyl-3-[4-(2,4-ditert-butyl-3-hydroxyphenyl)butyl]phenol (CID 141434807) is 2,6-ditert-butyl-3-[4-(2,4-ditert-butyl-3-hydroxyphenyl)butyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-3-[4-(2,4-ditert-butyl-3-hydroxyphenyl)butyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-3-[4-(2,4-ditert-butyl-3-hydroxyphenyl)butyl]phenol is CC(C)(C)c1ccc(CCCCc2ccc(C(C)(C)C)c(O)c2C(C)(C)C)c(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-3-[4-(2,4-ditert-butyl-3-hydroxyphenyl)butyl]phenol?
The InChIKey is JISRFBWKAANDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50O2/c1-29(2,3)23-19-17-21(25(27(23)33)31(7,8)9)15-13-14-16-22-18-20-24(30(4,5)6)28(34)26(22)32(10,11)12/h17-20,33-34H,13-16H2,1-12H3.
What are the key properties of 2,6-ditert-butyl-3-[4-(2,4-ditert-butyl-3-hydroxyphenyl)butyl]phenol?
2,6-ditert-butyl-3-[4-(2,4-ditert-butyl-3-hydroxyphenyl)butyl]phenol has a molecular weight of 466.75 g/mol, XLogP of 8.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-3-[4-(2,4-ditert-butyl-3-hydroxyphenyl)butyl]phenol is sourced from PubChem (CID 141434807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).