2,5-ditert-butyl-4-phenylphenol

C20H26O — CID 14592702

IUPAC2,5-ditert-butyl-4-phenylphenol
SMILESCC(C)(C)c1cc(-c2ccccc2)c(C(C)(C)C)cc1O
InChIInChI=1S/C20H26O/c1-19(2,3)16-13-18(21)17(20(4,5)6)12-15(16)14-10-8-7-9-11-14/h7-13,21H,1-6H3
InChIKeyYTEIQFKCAAPFHC-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.65
Rot. Bonds1

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

2,5-ditert-butyl-4-phenylphenol (PubChem CID 14592702) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 2,5-ditert-butyl-4-phenylphenol.

Molecular Properties

Compound Name2,5-ditert-butyl-4-phenylphenol
PubChem CID14592702
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name2,5-ditert-butyl-4-phenylphenol
SMILESCC(C)(C)c1cc(-c2ccccc2)c(C(C)(C)C)cc1O
InChIInChI=1S/C20H26O/c1-19(2,3)16-13-18(21)17(20(4,5)6)12-15(16)14-10-8-7-9-11-14/h7-13,21H,1-6H3
InChIKeyYTEIQFKCAAPFHC-UHFFFAOYSA-N
XLogP5.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-4-phenylphenol?
The IUPAC name of 2,5-ditert-butyl-4-phenylphenol (CID 14592702) is 2,5-ditert-butyl-4-phenylphenol.
What is the SMILES notation for 2,5-ditert-butyl-4-phenylphenol?
The canonical SMILES for 2,5-ditert-butyl-4-phenylphenol is CC(C)(C)c1cc(-c2ccccc2)c(C(C)(C)C)cc1O.
What is the InChIKey of 2,5-ditert-butyl-4-phenylphenol?
The InChIKey is YTEIQFKCAAPFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-19(2,3)16-13-18(21)17(20(4,5)6)12-15(16)14-10-8-7-9-11-14/h7-13,21H,1-6H3.
What are the key properties of 2,5-ditert-butyl-4-phenylphenol?
2,5-ditert-butyl-4-phenylphenol has a molecular weight of 282.43 g/mol, XLogP of 5.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-4-phenylphenol is sourced from PubChem (CID 14592702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).