2,3-ditert-butyl-4-methylphenol

C15H24O — CID 3034427

IUPAC2,3-ditert-butyl-4-methylphenol
SMILESCc1ccc(O)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C15H24O/c1-10-8-9-11(16)13(15(5,6)7)12(10)14(2,3)4/h8-9,16H,1-7H3
InChIKeyQWQNFXDYOCUEER-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.30
Rot. Bonds

About 2,3-ditert-butyl-4-methylphenol

2,3-ditert-butyl-4-methylphenol (PubChem CID 3034427) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2,3-ditert-butyl-4-methylphenol.

Molecular Properties

Compound Name2,3-ditert-butyl-4-methylphenol
PubChem CID3034427
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2,3-ditert-butyl-4-methylphenol
SMILESCc1ccc(O)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C15H24O/c1-10-8-9-11(16)13(15(5,6)7)12(10)14(2,3)4/h8-9,16H,1-7H3
InChIKeyQWQNFXDYOCUEER-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 2,3-ditert-butyl-4-methylphenol?
The IUPAC name of 2,3-ditert-butyl-4-methylphenol (CID 3034427) is 2,3-ditert-butyl-4-methylphenol.
What is the SMILES notation for 2,3-ditert-butyl-4-methylphenol?
The canonical SMILES for 2,3-ditert-butyl-4-methylphenol is Cc1ccc(O)c(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-4-methylphenol?
The InChIKey is QWQNFXDYOCUEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-10-8-9-11(16)13(15(5,6)7)12(10)14(2,3)4/h8-9,16H,1-7H3.
What are the key properties of 2,3-ditert-butyl-4-methylphenol?
2,3-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 2,3-ditert-butyl-4-methylphenol is sourced from PubChem (CID 3034427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).