3,5-ditert-butyl-4-methylphenol

C15H24O — CID 10220096

IUPAC3,5-ditert-butyl-4-methylphenol
SMILESCc1c(C(C)(C)C)cc(O)cc1C(C)(C)C
InChIInChI=1S/C15H24O/c1-10-12(14(2,3)4)8-11(16)9-13(10)15(5,6)7/h8-9,16H,1-7H3
InChIKeySMNGQGWPUVVORF-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.30
Rot. Bonds

About 3,5-ditert-butyl-4-methylphenol

3,5-ditert-butyl-4-methylphenol (PubChem CID 10220096) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 3,5-ditert-butyl-4-methylphenol.

Molecular Properties

Compound Name3,5-ditert-butyl-4-methylphenol
PubChem CID10220096
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name3,5-ditert-butyl-4-methylphenol
SMILESCc1c(C(C)(C)C)cc(O)cc1C(C)(C)C
InChIInChI=1S/C15H24O/c1-10-12(14(2,3)4)8-11(16)9-13(10)15(5,6)7/h8-9,16H,1-7H3
InChIKeySMNGQGWPUVVORF-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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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-4-methylphenol?
The IUPAC name of 3,5-ditert-butyl-4-methylphenol (CID 10220096) is 3,5-ditert-butyl-4-methylphenol.
What is the SMILES notation for 3,5-ditert-butyl-4-methylphenol?
The canonical SMILES for 3,5-ditert-butyl-4-methylphenol is Cc1c(C(C)(C)C)cc(O)cc1C(C)(C)C.
What is the InChIKey of 3,5-ditert-butyl-4-methylphenol?
The InChIKey is SMNGQGWPUVVORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-10-12(14(2,3)4)8-11(16)9-13(10)15(5,6)7/h8-9,16H,1-7H3.
What are the key properties of 3,5-ditert-butyl-4-methylphenol?
3,5-ditert-butyl-4-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 3,5-ditert-butyl-4-methylphenol is sourced from PubChem (CID 10220096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).