3,6-ditert-butyl-2-phenylphenol

C20H26O — CID 88520586

IUPAC3,6-ditert-butyl-2-phenylphenol
SMILESCC(C)(C)c1ccc(C(C)(C)C)c(-c2ccccc2)c1O
InChIInChI=1S/C20H26O/c1-19(2,3)15-12-13-16(20(4,5)6)18(21)17(15)14-10-8-7-9-11-14/h7-13,21H,1-6H3
InChIKeyKUPPWTIRFQHZCQ-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.65
Rot. Bonds1

About 3,6-ditert-butyl-2-phenylphenol

3,6-ditert-butyl-2-phenylphenol (PubChem CID 88520586) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 3,6-ditert-butyl-2-phenylphenol.

Molecular Properties

Compound Name3,6-ditert-butyl-2-phenylphenol
PubChem CID88520586
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name3,6-ditert-butyl-2-phenylphenol
SMILESCC(C)(C)c1ccc(C(C)(C)C)c(-c2ccccc2)c1O
InChIInChI=1S/C20H26O/c1-19(2,3)15-12-13-16(20(4,5)6)18(21)17(15)14-10-8-7-9-11-14/h7-13,21H,1-6H3
InChIKeyKUPPWTIRFQHZCQ-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 3,6-ditert-butyl-2-phenylphenol?
The IUPAC name of 3,6-ditert-butyl-2-phenylphenol (CID 88520586) is 3,6-ditert-butyl-2-phenylphenol.
What is the SMILES notation for 3,6-ditert-butyl-2-phenylphenol?
The canonical SMILES for 3,6-ditert-butyl-2-phenylphenol is CC(C)(C)c1ccc(C(C)(C)C)c(-c2ccccc2)c1O.
What is the InChIKey of 3,6-ditert-butyl-2-phenylphenol?
The InChIKey is KUPPWTIRFQHZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-19(2,3)15-12-13-16(20(4,5)6)18(21)17(15)14-10-8-7-9-11-14/h7-13,21H,1-6H3.
What are the key properties of 3,6-ditert-butyl-2-phenylphenol?
3,6-ditert-butyl-2-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 3,6-ditert-butyl-2-phenylphenol is sourced from PubChem (CID 88520586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).