bis(4-tert-butylphenyl)-pyridin-2-ylmethanol

C26H31NO — CID 10975064

IUPACbis(4-tert-butylphenyl)-pyridin-2-ylmethanol
SMILESCC(C)(C)c1ccc(C(O)(c2ccc(C(C)(C)C)cc2)c2ccccn2)cc1
InChIInChI=1S/C26H31NO/c1-24(2,3)19-10-14-21(15-11-19)26(28,23-9-7-8-18-27-23)22-16-12-20(13-17-22)25(4,5)6/h7-18,28H,1-6H3
InChIKeyXUVBASWUBSOQGT-UHFFFAOYSA-N
MW373.54 g/mol
LogP5.96
Rot. Bonds3

About bis(4-tert-butylphenyl)-pyridin-2-ylmethanol

bis(4-tert-butylphenyl)-pyridin-2-ylmethanol (PubChem CID 10975064) has the molecular formula C26H31NO and a molecular weight of 373.54 g/mol. Its IUPAC name is bis(4-tert-butylphenyl)-pyridin-2-ylmethanol.

Molecular Properties

Compound Namebis(4-tert-butylphenyl)-pyridin-2-ylmethanol
PubChem CID10975064
Molecular FormulaC26H31NO
Molecular Weight373.54 g/mol
Exact Mass373.24
IUPAC Namebis(4-tert-butylphenyl)-pyridin-2-ylmethanol
SMILESCC(C)(C)c1ccc(C(O)(c2ccc(C(C)(C)C)cc2)c2ccccn2)cc1
InChIInChI=1S/C26H31NO/c1-24(2,3)19-10-14-21(15-11-19)26(28,23-9-7-8-18-27-23)22-16-12-20(13-17-22)25(4,5)6/h7-18,28H,1-6H3
InChIKeyXUVBASWUBSOQGT-UHFFFAOYSA-N
XLogP5.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Doxylamine
CID 3162
4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
SR2211
CID 51035449
Pirmenol
CID 65502
Actifed
CID 6437831
alpha,alpha-Diphenyl-4-pyridinemethanol
CID 74177
Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
1-Benzhydryl-4-(pyridin-2-yl)piperidin-4-ol
CID 10427620
5-(1,1-Dimethyl-heptyl)-2-pyridin-3-yl-phenol
CID 11551123
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398
4''-(1-(Pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854448
4''-(2-Methyl-1-(pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854449

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butylphenyl)-pyridin-2-ylmethanol?
The IUPAC name of bis(4-tert-butylphenyl)-pyridin-2-ylmethanol (CID 10975064) is bis(4-tert-butylphenyl)-pyridin-2-ylmethanol.
What is the SMILES notation for bis(4-tert-butylphenyl)-pyridin-2-ylmethanol?
The canonical SMILES for bis(4-tert-butylphenyl)-pyridin-2-ylmethanol is CC(C)(C)c1ccc(C(O)(c2ccc(C(C)(C)C)cc2)c2ccccn2)cc1.
What is the InChIKey of bis(4-tert-butylphenyl)-pyridin-2-ylmethanol?
The InChIKey is XUVBASWUBSOQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO/c1-24(2,3)19-10-14-21(15-11-19)26(28,23-9-7-8-18-27-23)22-16-12-20(13-17-22)25(4,5)6/h7-18,28H,1-6H3.
What are the key properties of bis(4-tert-butylphenyl)-pyridin-2-ylmethanol?
bis(4-tert-butylphenyl)-pyridin-2-ylmethanol has a molecular weight of 373.54 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butylphenyl)-pyridin-2-ylmethanol is sourced from PubChem (CID 10975064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).