2,4-ditert-butyl-5-methylphenol

C15H24O — CID 10346

IUPAC2,4-ditert-butyl-5-methylphenol
SMILESCc1cc(O)c(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C15H24O/c1-10-8-13(16)12(15(5,6)7)9-11(10)14(2,3)4/h8-9,16H,1-7H3
InChIKeyWYSSJDOPILWQDC-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.30
Rot. Bonds

About 2,4-ditert-butyl-5-methylphenol

2,4-ditert-butyl-5-methylphenol (PubChem CID 10346) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2,4-ditert-butyl-5-methylphenol.

Molecular Properties

Compound Name2,4-ditert-butyl-5-methylphenol
PubChem CID10346
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2,4-ditert-butyl-5-methylphenol
SMILESCc1cc(O)c(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C15H24O/c1-10-8-13(16)12(15(5,6)7)9-11(10)14(2,3)4/h8-9,16H,1-7H3
InChIKeyWYSSJDOPILWQDC-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-ditert-butyl-5-methylphenol;titanium
CID 174406764
2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol
CID 160646007
2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol
CID 117318718
2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)disulfanyl]-5-methylphenol
CID 15919604
2-tert-butyl-4-[3-(5-tert-butyl-4-hydroxy-2-methylphenyl)hexan-3-yl]-5-methylphenol
CID 139631784
2-tert-butyl-5-methyl-4-propan-2-ylphenol
CID 14266735
2-tert-butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)butyl]-5-methylphenol
CID 57198383
4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-2,5-dimethylphenol
CID 59518347
2-tert-butyl-5-methyl-4-(3-methylbutan-2-yl)phenol
CID 58510517
aluminum;5-tert-butyl-4-hydroxy-2-methylbenzaldehyde;trichloride
CID 158459499
2-tert-butyl-4-[2-(5-tert-butyl-4-hydroxy-2-methylphenyl)-1-sulfanylhexadecan-2-yl]-5-methylphenol
CID 22643732
2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol
CID 117318740

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-5-methylphenol?
The IUPAC name of 2,4-ditert-butyl-5-methylphenol (CID 10346) is 2,4-ditert-butyl-5-methylphenol.
What is the SMILES notation for 2,4-ditert-butyl-5-methylphenol?
The canonical SMILES for 2,4-ditert-butyl-5-methylphenol is Cc1cc(O)c(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of 2,4-ditert-butyl-5-methylphenol?
The InChIKey is WYSSJDOPILWQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-10-8-13(16)12(15(5,6)7)9-11(10)14(2,3)4/h8-9,16H,1-7H3.
What are the key properties of 2,4-ditert-butyl-5-methylphenol?
2,4-ditert-butyl-5-methylphenol has a molecular weight of 220.36 g/mol, XLogP of 4.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-5-methylphenol is sourced from PubChem (CID 10346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).