2,4-ditert-butylphenol

C14H22O — CID 7311

IUPAC2,4-ditert-butylphenol
SMILESCC(C)(C)c1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
InChIKeyICKWICRCANNIBI-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.99
Rot. Bonds

About 2,4-ditert-butylphenol

2,4-ditert-butylphenol (PubChem CID 7311) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,4-ditert-butylphenol.

Molecular Properties

Compound Name2,4-ditert-butylphenol
PubChem CID7311
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2,4-ditert-butylphenol
SMILESCC(C)(C)c1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
InChIKeyICKWICRCANNIBI-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-Pentylphenol
CID 6643
P-Cresol
CID 2879
Thymol
CID 6989
Diethylstilbestrol
CID 448537
O-Cresol
CID 335
Bisphenol A
CID 6623
2,4-Dimethylphenol
CID 7771
Tert-Butylhydroquinone
CID 16043
2,6-Di-tert-butyl-4-methylphenol
CID 31404
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017
4-tert-Butylphenol
CID 7393

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butylphenol?
The IUPAC name of 2,4-ditert-butylphenol (CID 7311) is 2,4-ditert-butylphenol.
What is the SMILES notation for 2,4-ditert-butylphenol?
The canonical SMILES for 2,4-ditert-butylphenol is CC(C)(C)c1ccc(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butylphenol?
The InChIKey is ICKWICRCANNIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3.
What are the key properties of 2,4-ditert-butylphenol?
2,4-ditert-butylphenol has a molecular weight of 206.33 g/mol, XLogP of 3.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butylphenol is sourced from PubChem (CID 7311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).