1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol

C16H18FNO2 — CID 105125656

IUPAC1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol
SMILESCOc1cccc(CC(O)CCc2ccncc2)c1F
InChIInChI=1S/C16H18FNO2/c1-20-15-4-2-3-13(16(15)17)11-14(19)6-5-12-7-9-18-10-8-12/h2-4,7-10,14,19H,5-6,11H2,1H3
InChIKeyJKBYYDNDKYGGNU-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.77
Rot. Bonds6

About 1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol

1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol (PubChem CID 105125656) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol
PubChem CID105125656
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol
SMILESCOc1cccc(CC(O)CCc2ccncc2)c1F
InChIInChI=1S/C16H18FNO2/c1-20-15-4-2-3-13(16(15)17)11-14(19)6-5-12-7-9-18-10-8-12/h2-4,7-10,14,19H,5-6,11H2,1H3
InChIKeyJKBYYDNDKYGGNU-UHFFFAOYSA-N
XLogP2.77
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-fluoro-2-methylphenyl)-4-pyridin-4-ylbutan-2-ol
CID 105377685
1-(2-chloro-5-fluorophenyl)-4-pyridin-4-ylbutan-2-ol
CID 102623110
2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol
CID 104793572
1-(2-fluoro-3-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 104793618
1-(2-fluoro-3-methoxyphenyl)-3-(3-methoxyphenyl)propan-2-ol
CID 104793575
1-(2-fluoro-3-methoxyphenyl)-3-thiophen-3-ylpropan-2-ol
CID 105125769
1-(2-fluoro-3-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105180686
6-(2-fluoro-3-methoxyphenyl)hexan-3-ol
CID 104795145
1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 104793601
1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol
CID 103053358
1-(2-fluoro-3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 82808484
1-(5-fluoro-2-methoxyphenyl)-3-pyridin-4-ylpropan-1-ol
CID 105122276

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol (CID 105125656) is 1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol is COc1cccc(CC(O)CCc2ccncc2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol?
The InChIKey is JKBYYDNDKYGGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-20-15-4-2-3-13(16(15)17)11-14(19)6-5-12-7-9-18-10-8-12/h2-4,7-10,14,19H,5-6,11H2,1H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol?
1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol has a molecular weight of 275.32 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol is sourced from PubChem (CID 105125656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).