3-methyl-1-phenyl-1-pyridin-2-ylbutan-1-ol

C16H19NO — CID 122379925

IUPAC3-methyl-1-phenyl-1-pyridin-2-ylbutan-1-ol
SMILESCC(C)CC(O)(c1ccccc1)c1ccccn1
InChIInChI=1S/C16H19NO/c1-13(2)12-16(18,14-8-4-3-5-9-14)15-10-6-7-11-17-15/h3-11,13,18H,12H2,1-2H3
InChIKeyHMHNOBRBLWBSCN-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.36
Rot. Bonds4

About 3-methyl-1-phenyl-1-pyridin-2-ylbutan-1-ol

3-methyl-1-phenyl-1-pyridin-2-ylbutan-1-ol (PubChem CID 122379925) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-methyl-1-phenyl-1-pyridin-2-ylbutan-1-ol.

Molecular Properties

Compound Name3-methyl-1-phenyl-1-pyridin-2-ylbutan-1-ol
PubChem CID122379925
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-methyl-1-phenyl-1-pyridin-2-ylbutan-1-ol
SMILESCC(C)CC(O)(c1ccccc1)c1ccccn1
InChIInChI=1S/C16H19NO/c1-13(2)12-16(18,14-8-4-3-5-9-14)15-10-6-7-11-17-15/h3-11,13,18H,12H2,1-2H3
InChIKeyHMHNOBRBLWBSCN-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Donormil
CID 11224
Doxylamine
CID 3162
4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
Pirmenol
CID 65502
NoName_714
CID 135489221
5-Ethyl-2-pyridineethanol
CID 78894
2-Pyridinealdoxime O-benzyl ether
CID 9562669
Phenyl(pyridin-3-yl)methanol
CID 234839
alpha-Phenyl-4-pyridinemethanol
CID 98305
alpha,alpha-Diphenyl-4-pyridinemethanol
CID 74177
Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
4-(Hydroxymethyl)quinoline
CID 80479

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-1-pyridin-2-ylbutan-1-ol?
The IUPAC name of 3-methyl-1-phenyl-1-pyridin-2-ylbutan-1-ol (CID 122379925) is 3-methyl-1-phenyl-1-pyridin-2-ylbutan-1-ol.
What is the SMILES notation for 3-methyl-1-phenyl-1-pyridin-2-ylbutan-1-ol?
The canonical SMILES for 3-methyl-1-phenyl-1-pyridin-2-ylbutan-1-ol is CC(C)CC(O)(c1ccccc1)c1ccccn1.
What is the InChIKey of 3-methyl-1-phenyl-1-pyridin-2-ylbutan-1-ol?
The InChIKey is HMHNOBRBLWBSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13(2)12-16(18,14-8-4-3-5-9-14)15-10-6-7-11-17-15/h3-11,13,18H,12H2,1-2H3.
What are the key properties of 3-methyl-1-phenyl-1-pyridin-2-ylbutan-1-ol?
3-methyl-1-phenyl-1-pyridin-2-ylbutan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-1-pyridin-2-ylbutan-1-ol is sourced from PubChem (CID 122379925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).