2-tert-butyl-6-[2-[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]propyl]-4-(2-methylpropyl)phenol

C31H48O2 — CID 159566936

IUPAC2-tert-butyl-6-[2-[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]propyl]-4-(2-methylpropyl)phenol
SMILESCC(C)Cc1cc(CC(C)c2cc(CC(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C31H48O2/c1-19(2)12-22-15-24(28(32)26(17-22)30(6,7)8)14-21(5)25-16-23(13-20(3)4)18-27(29(25)33)31(9,10)11/h15-21,32-33H,12-14H2,1-11H3
InChIKeyMHHYEELWTPKNAG-UHFFFAOYSA-N
MW452.72 g/mol
LogP8.44
Rot. Bonds7

About 2-tert-butyl-6-[2-[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]propyl]-4-(2-methylpropyl)phenol

2-tert-butyl-6-[2-[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]propyl]-4-(2-methylpropyl)phenol (PubChem CID 159566936) has the molecular formula C31H48O2 and a molecular weight of 452.72 g/mol. Its IUPAC name is 2-tert-butyl-6-[2-[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]propyl]-4-(2-methylpropyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[2-[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]propyl]-4-(2-methylpropyl)phenol
PubChem CID159566936
Molecular FormulaC31H48O2
Molecular Weight452.72 g/mol
Exact Mass452.37
IUPAC Name2-tert-butyl-6-[2-[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]propyl]-4-(2-methylpropyl)phenol
SMILESCC(C)Cc1cc(CC(C)c2cc(CC(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C31H48O2/c1-19(2)12-22-15-24(28(32)26(17-22)30(6,7)8)14-21(5)25-16-23(13-20(3)4)18-27(29(25)33)31(9,10)11/h15-21,32-33H,12-14H2,1-11H3
InChIKeyMHHYEELWTPKNAG-UHFFFAOYSA-N
XLogP8.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.72
LogP ≤ 58.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-6-[2-[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]ethyl]-4-(2-methylpropyl)phenol
CID 19979422
2,6-ditert-butyl-4-(2-methylpropyl)phenol
CID 161371021
4-[[3,5-bis[[3-tert-butyl-4-hydroxy-5-(2-methylpropyl)phenyl]methyl]-2,4,6-trimethylphenyl]methyl]-2-tert-butyl-6-(2-methylpropyl)phenol
CID 139646404
methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylpropanoate
CID 18974158
2-tert-butyl-6-[1-[3-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]phenyl]propan-2-yl]-4-methylphenol
CID 88729170
3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]pentane-2,4-diol
CID 20566819
2-tert-butyl-6-[3-[[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]methylideneamino]propyliminomethyl]-4-(2-methylpropyl)phenol
CID 137069343
4-[[3,5-bis[(3-butan-2-yl-5-tert-butyl-4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-butan-2-yl-6-tert-butylphenol
CID 139646427
2-(4-aminobutan-2-yl)-4-bromo-6-tert-butylphenol
CID 117483916
2-(2-aminopropyl)-6-tert-butyl-4-methylphenol
CID 117317029
2,6-ditert-butyl-4-(2-ethyl-6-methylheptyl)phenol
CID 91434310
CID 87364656
CID 87364656

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[2-[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]propyl]-4-(2-methylpropyl)phenol?
The IUPAC name of 2-tert-butyl-6-[2-[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]propyl]-4-(2-methylpropyl)phenol (CID 159566936) is 2-tert-butyl-6-[2-[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]propyl]-4-(2-methylpropyl)phenol.
What is the SMILES notation for 2-tert-butyl-6-[2-[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]propyl]-4-(2-methylpropyl)phenol?
The canonical SMILES for 2-tert-butyl-6-[2-[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]propyl]-4-(2-methylpropyl)phenol is CC(C)Cc1cc(CC(C)c2cc(CC(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-[2-[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]propyl]-4-(2-methylpropyl)phenol?
The InChIKey is MHHYEELWTPKNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48O2/c1-19(2)12-22-15-24(28(32)26(17-22)30(6,7)8)14-21(5)25-16-23(13-20(3)4)18-27(29(25)33)31(9,10)11/h15-21,32-33H,12-14H2,1-11H3.
What are the key properties of 2-tert-butyl-6-[2-[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]propyl]-4-(2-methylpropyl)phenol?
2-tert-butyl-6-[2-[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]propyl]-4-(2-methylpropyl)phenol has a molecular weight of 452.72 g/mol, XLogP of 8.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[2-[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]propyl]-4-(2-methylpropyl)phenol is sourced from PubChem (CID 159566936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).