1-(6-methyl-3-pyridinyl)-1-phenylbutan-1-ol

C16H19NO — CID 63155797

IUPAC1-(6-methyl-3-pyridinyl)-1-phenylbutan-1-ol
SMILESCCCC(O)(c1ccccc1)c1ccc(C)nc1
InChIInChI=1S/C16H19NO/c1-3-11-16(18,14-7-5-4-6-8-14)15-10-9-13(2)17-12-15/h4-10,12,18H,3,11H2,1-2H3
InChIKeyXDSPNGFOEOUOKX-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.43
Rot. Bonds4

About 1-(6-methyl-3-pyridinyl)-1-phenylbutan-1-ol

1-(6-methyl-3-pyridinyl)-1-phenylbutan-1-ol (PubChem CID 63155797) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)-1-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)-1-phenylbutan-1-ol
PubChem CID63155797
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(6-methyl-3-pyridinyl)-1-phenylbutan-1-ol
SMILESCCCC(O)(c1ccccc1)c1ccc(C)nc1
InChIInChI=1S/C16H19NO/c1-3-11-16(18,14-7-5-4-6-8-14)15-10-9-13(2)17-12-15/h4-10,12,18H,3,11H2,1-2H3
InChIKeyXDSPNGFOEOUOKX-UHFFFAOYSA-N
XLogP3.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-1-phenylbutan-1-ol
CID 62786789
1-(5-fluoro-3-pyridinyl)-1-phenylbutan-1-ol
CID 54966036
1-(2-fluorophenyl)-2-(6-methyl-3-pyridinyl)propan-2-ol
CID 114832739
2-methyl-3-(6-methyl-3-pyridinyl)pentan-3-ol
CID 63155846
1-(1H-imidazol-2-yl)-1-phenylbutan-1-ol
CID 91811687
2-methyl-2-(6-methyl-3-pyridinyl)butanoic acid
CID 83830381
5-tert-butyl-2-methylpyridine;ethane
CID 162055015
5-tert-butyl-2-methylpyridine;methane
CID 157425273
1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol
CID 127018337
2-methyl-5-(trifluoromethyl)pyridine
CID 18361873
2-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid
CID 119192178
ethyl 2-methyl-2-(6-methyl-3-pyridinyl)propanoate
CID 63158204

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)-1-phenylbutan-1-ol?
The IUPAC name of 1-(6-methyl-3-pyridinyl)-1-phenylbutan-1-ol (CID 63155797) is 1-(6-methyl-3-pyridinyl)-1-phenylbutan-1-ol.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)-1-phenylbutan-1-ol?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)-1-phenylbutan-1-ol is CCCC(O)(c1ccccc1)c1ccc(C)nc1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)-1-phenylbutan-1-ol?
The InChIKey is XDSPNGFOEOUOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-11-16(18,14-7-5-4-6-8-14)15-10-9-13(2)17-12-15/h4-10,12,18H,3,11H2,1-2H3.
What are the key properties of 1-(6-methyl-3-pyridinyl)-1-phenylbutan-1-ol?
1-(6-methyl-3-pyridinyl)-1-phenylbutan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)-1-phenylbutan-1-ol is sourced from PubChem (CID 63155797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).