2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol

C22H30O — CID 100914371

IUPAC2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol
SMILESCc1cccc(C)c1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C22H30O/c1-14-10-9-11-15(2)19(14)16-12-17(21(3,4)5)20(23)18(13-16)22(6,7)8/h9-13,23H,1-8H3
InChIKeyLPXNILSIDAQONC-UHFFFAOYSA-N
MW310.48 g/mol
LogP6.27
Rot. Bonds1

About 2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol

2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol (PubChem CID 100914371) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol
PubChem CID100914371
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol
SMILESCc1cccc(C)c1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C22H30O/c1-14-10-9-11-15(2)19(14)16-12-17(21(3,4)5)20(23)18(13-16)22(6,7)8/h9-13,23H,1-8H3
InChIKeyLPXNILSIDAQONC-UHFFFAOYSA-N
XLogP6.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol (CID 100914371) is 2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol is Cc1cccc(C)c1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol?
The InChIKey is LPXNILSIDAQONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-14-10-9-11-15(2)19(14)16-12-17(21(3,4)5)20(23)18(13-16)22(6,7)8/h9-13,23H,1-8H3.
What are the key properties of 2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol?
2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol has a molecular weight of 310.48 g/mol, XLogP of 6.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol is sourced from PubChem (CID 100914371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).