4-tert-butyl-2-phenylphenol

C16H18O — CID 11351

IUPAC4-tert-butyl-2-phenylphenol
SMILESCC(C)(C)c1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C16H18O/c1-16(2,3)13-9-10-15(17)14(11-13)12-7-5-4-6-8-12/h4-11,17H,1-3H3
InChIKeyIYPYKRAEQZVXSC-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.36
Rot. Bonds1

About 4-tert-butyl-2-phenylphenol

4-tert-butyl-2-phenylphenol (PubChem CID 11351) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-tert-butyl-2-phenylphenol.

Molecular Properties

Compound Name4-tert-butyl-2-phenylphenol
PubChem CID11351
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name4-tert-butyl-2-phenylphenol
SMILESCC(C)(C)c1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C16H18O/c1-16(2,3)13-9-10-15(17)14(11-13)12-7-5-4-6-8-12/h4-11,17H,1-3H3
InChIKeyIYPYKRAEQZVXSC-UHFFFAOYSA-N
XLogP4.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-phenylphenol?
The IUPAC name of 4-tert-butyl-2-phenylphenol (CID 11351) is 4-tert-butyl-2-phenylphenol.
What is the SMILES notation for 4-tert-butyl-2-phenylphenol?
The canonical SMILES for 4-tert-butyl-2-phenylphenol is CC(C)(C)c1ccc(O)c(-c2ccccc2)c1.
What is the InChIKey of 4-tert-butyl-2-phenylphenol?
The InChIKey is IYPYKRAEQZVXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-16(2,3)13-9-10-15(17)14(11-13)12-7-5-4-6-8-12/h4-11,17H,1-3H3.
What are the key properties of 4-tert-butyl-2-phenylphenol?
4-tert-butyl-2-phenylphenol has a molecular weight of 226.32 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-phenylphenol is sourced from PubChem (CID 11351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).