1-(5-methyl-2-pyridinyl)-4-phenylbutan-2-ol

C16H19NO — CID 66458905

IUPAC1-(5-methyl-2-pyridinyl)-4-phenylbutan-2-ol
SMILESCc1ccc(CC(O)CCc2ccccc2)nc1
InChIInChI=1S/C16H19NO/c1-13-7-9-15(17-12-13)11-16(18)10-8-14-5-3-2-4-6-14/h2-7,9,12,16,18H,8,10-11H2,1H3
InChIKeyWNKAZULWGUREGU-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.93
Rot. Bonds5

About 1-(5-methyl-2-pyridinyl)-4-phenylbutan-2-ol

1-(5-methyl-2-pyridinyl)-4-phenylbutan-2-ol (PubChem CID 66458905) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)-4-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)-4-phenylbutan-2-ol
PubChem CID66458905
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(5-methyl-2-pyridinyl)-4-phenylbutan-2-ol
SMILESCc1ccc(CC(O)CCc2ccccc2)nc1
InChIInChI=1S/C16H19NO/c1-13-7-9-15(17-12-13)11-16(18)10-8-14-5-3-2-4-6-14/h2-7,9,12,16,18H,8,10-11H2,1H3
InChIKeyWNKAZULWGUREGU-UHFFFAOYSA-N
XLogP2.93
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol
CID 105115083
1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol
CID 83442584
1,4-bis(4-methylphenyl)butan-2-ol
CID 63016226
1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-ol
CID 66460328
1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-ol
CID 79740538
1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-ol
CID 115822379
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
1-(4-methylphenyl)-5-phenylpentan-2-ol
CID 62606393
4-(3-methylphenyl)-1-phenylbutan-2-ol
CID 63016612
1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
CID 66461132
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-phenylbutan-2-ol
CID 62608610
5-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]pyridine
CID 86125862

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)-4-phenylbutan-2-ol?
The IUPAC name of 1-(5-methyl-2-pyridinyl)-4-phenylbutan-2-ol (CID 66458905) is 1-(5-methyl-2-pyridinyl)-4-phenylbutan-2-ol.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)-4-phenylbutan-2-ol?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)-4-phenylbutan-2-ol is Cc1ccc(CC(O)CCc2ccccc2)nc1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)-4-phenylbutan-2-ol?
The InChIKey is WNKAZULWGUREGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13-7-9-15(17-12-13)11-16(18)10-8-14-5-3-2-4-6-14/h2-7,9,12,16,18H,8,10-11H2,1H3.
What are the key properties of 1-(5-methyl-2-pyridinyl)-4-phenylbutan-2-ol?
1-(5-methyl-2-pyridinyl)-4-phenylbutan-2-ol has a molecular weight of 241.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)-4-phenylbutan-2-ol is sourced from PubChem (CID 66458905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).