2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxyphenyl)hexyl]phenol

C26H38O2 — CID 15123945

IUPAC2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxyphenyl)hexyl]phenol
SMILESCCCCCC(c1cccc(C(C)(C)C)c1O)c1cccc(C(C)(C)C)c1O
InChIInChI=1S/C26H38O2/c1-8-9-10-13-18(19-14-11-16-21(23(19)27)25(2,3)4)20-15-12-17-22(24(20)28)26(5,6)7/h11-12,14-18,27-28H,8-10,13H2,1-7H3
InChIKeySRVZKGUVELHKRT-UHFFFAOYSA-N
MW382.59 g/mol
LogP7.41
Rot. Bonds6

About 2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxyphenyl)hexyl]phenol

2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxyphenyl)hexyl]phenol (PubChem CID 15123945) has the molecular formula C26H38O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is 2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxyphenyl)hexyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxyphenyl)hexyl]phenol
PubChem CID15123945
Molecular FormulaC26H38O2
Molecular Weight382.59 g/mol
Exact Mass382.29
IUPAC Name2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxyphenyl)hexyl]phenol
SMILESCCCCCC(c1cccc(C(C)(C)C)c1O)c1cccc(C(C)(C)C)c1O
InChIInChI=1S/C26H38O2/c1-8-9-10-13-18(19-14-11-16-21(23(19)27)25(2,3)4)20-15-12-17-22(24(20)28)26(5,6)7/h11-12,14-18,27-28H,8-10,13H2,1-7H3
InChIKeySRVZKGUVELHKRT-UHFFFAOYSA-N
XLogP7.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 57.41
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-[1-(2-hydroxy-3-methylphenyl)undecyl]-6-methylphenol
CID 135345596
2-[1-(2-hydroxy-3-methoxyphenyl)dodecyl]-6-methoxyphenol
CID 167458062
2-[1-[2-hydroxy-3-(1-phenylethyl)phenyl]hexyl]-6-(1-phenylethyl)phenol
CID 19870927
2-tert-butyl-6-pentadecylphenol
CID 151192860
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)octyl]-6-propan-2-ylphenol
CID 139968357
2,6-ditert-butylphenol;methyl 2-sulfanyldecanoate
CID 174634273
ethyl 2-(3-tert-butyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117383969
1-(2-tert-butylphenyl)hexylhydrazine
CID 105294636
2-[2-(2-tridecan-7-ylphenyl)propan-2-yl]phenol
CID 66866746
bis(N-tert-butylpentan-1-imine);bis(2,6-ditert-butylphenol);zirconium(2+)
CID 134888413
2-(1-phenylnonyl)phenol
CID 67177643
3-[(1R)-1-aminohexyl]benzene-1,2-diol
CID 171200995

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxyphenyl)hexyl]phenol?
The IUPAC name of 2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxyphenyl)hexyl]phenol (CID 15123945) is 2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxyphenyl)hexyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxyphenyl)hexyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxyphenyl)hexyl]phenol is CCCCCC(c1cccc(C(C)(C)C)c1O)c1cccc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxyphenyl)hexyl]phenol?
The InChIKey is SRVZKGUVELHKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2/c1-8-9-10-13-18(19-14-11-16-21(23(19)27)25(2,3)4)20-15-12-17-22(24(20)28)26(5,6)7/h11-12,14-18,27-28H,8-10,13H2,1-7H3.
What are the key properties of 2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxyphenyl)hexyl]phenol?
2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxyphenyl)hexyl]phenol has a molecular weight of 382.59 g/mol, XLogP of 7.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxyphenyl)hexyl]phenol is sourced from PubChem (CID 15123945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).