1-(5-fluoro-2-methylphenyl)-4-pyridin-4-ylbutan-2-ol

C16H18FNO — CID 105377685

IUPAC1-(5-fluoro-2-methylphenyl)-4-pyridin-4-ylbutan-2-ol
SMILESCc1ccc(F)cc1CC(O)CCc1ccncc1
InChIInChI=1S/C16H18FNO/c1-12-2-4-15(17)10-14(12)11-16(19)5-3-13-6-8-18-9-7-13/h2,4,6-10,16,19H,3,5,11H2,1H3
InChIKeyKDQAPFDJGPOTBF-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.07
Rot. Bonds5

About 1-(5-fluoro-2-methylphenyl)-4-pyridin-4-ylbutan-2-ol

1-(5-fluoro-2-methylphenyl)-4-pyridin-4-ylbutan-2-ol (PubChem CID 105377685) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-4-pyridin-4-ylbutan-2-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-4-pyridin-4-ylbutan-2-ol
PubChem CID105377685
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-(5-fluoro-2-methylphenyl)-4-pyridin-4-ylbutan-2-ol
SMILESCc1ccc(F)cc1CC(O)CCc1ccncc1
InChIInChI=1S/C16H18FNO/c1-12-2-4-15(17)10-14(12)11-16(19)5-3-13-6-8-18-9-7-13/h2,4,6-10,16,19H,3,5,11H2,1H3
InChIKeyKDQAPFDJGPOTBF-UHFFFAOYSA-N
XLogP3.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-4-pyridin-4-ylbutan-2-ol
CID 102623110
1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol
CID 105125656
1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol
CID 103053358
1-(3,4-difluorophenyl)-4-pyridin-4-ylbutan-2-ol
CID 105121810
1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105081155
1-(5-fluoro-2-methylphenyl)-5-methylhexan-3-ol
CID 105374706
1-(5-fluoro-2-methoxyphenyl)-3-pyridin-4-ylpropan-1-ol
CID 105122276
1-(5-ethylthiophen-2-yl)-4-pyridin-4-ylbutan-2-ol
CID 105087600
1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-ol
CID 55149163
1-tert-butylsulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-ol
CID 105373461
1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol
CID 105088452
1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine
CID 105092013

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-4-pyridin-4-ylbutan-2-ol?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-4-pyridin-4-ylbutan-2-ol (CID 105377685) is 1-(5-fluoro-2-methylphenyl)-4-pyridin-4-ylbutan-2-ol.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-4-pyridin-4-ylbutan-2-ol?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-4-pyridin-4-ylbutan-2-ol is Cc1ccc(F)cc1CC(O)CCc1ccncc1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-4-pyridin-4-ylbutan-2-ol?
The InChIKey is KDQAPFDJGPOTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12-2-4-15(17)10-14(12)11-16(19)5-3-13-6-8-18-9-7-13/h2,4,6-10,16,19H,3,5,11H2,1H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-4-pyridin-4-ylbutan-2-ol?
1-(5-fluoro-2-methylphenyl)-4-pyridin-4-ylbutan-2-ol has a molecular weight of 259.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-4-pyridin-4-ylbutan-2-ol is sourced from PubChem (CID 105377685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).