2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol

C25H38O2 — CID 19042670

IUPAC2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
SMILESCC(C)(C)c1ccccc1O.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H24O.C10H14O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-10(2,3)8-6-4-5-7-9(8)11/h8-9,16H,1-7H3;4-7,11H,1-3H3
InChIKeyJXDDKQYRXQQVIP-UHFFFAOYSA-N
MW370.58 g/mol
LogP6.99
Rot. Bonds

About 2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol

2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol (PubChem CID 19042670) has the molecular formula C25H38O2 and a molecular weight of 370.58 g/mol. Its IUPAC name is 2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol.

Molecular Properties

Compound Name2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
PubChem CID19042670
Molecular FormulaC25H38O2
Molecular Weight370.58 g/mol
Exact Mass370.29
IUPAC Name2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
SMILESCC(C)(C)c1ccccc1O.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H24O.C10H14O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-10(2,3)8-6-4-5-7-9(8)11/h8-9,16H,1-7H3;4-7,11H,1-3H3
InChIKeyJXDDKQYRXQQVIP-UHFFFAOYSA-N
XLogP6.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 56.99
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
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
CID 87931050
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
CID 87485865
CID 172777673
CID 172777673
2-tert-butylphenol;toluene
CID 175493501
potassium;2-tert-butylphenol;hydride
CID 174648142
2-tert-butyl-6-[3-(2-hydroxyphenyl)-2,2-dimethylheptan-3-yl]-4-methylphenol
CID 151094962
2,6-ditert-butyl-4-methylphenol;3-methylphenol
CID 141330574
2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol
CID 175362699
tetrakis(2-tert-butylphenol);phosphorous acid
CID 175312297

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol?
The IUPAC name of 2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol (CID 19042670) is 2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol.
What is the SMILES notation for 2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol?
The canonical SMILES for 2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol is CC(C)(C)c1ccccc1O.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol?
The InChIKey is JXDDKQYRXQQVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.C10H14O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-10(2,3)8-6-4-5-7-9(8)11/h8-9,16H,1-7H3;4-7,11H,1-3H3.
What are the key properties of 2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol?
2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol has a molecular weight of 370.58 g/mol, XLogP of 6.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol is sourced from PubChem (CID 19042670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).