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

C15H17FOS — CID 105094222

IUPAC1-(2-fluoro-5-methylphenyl)-4-thiophen-2-ylbutan-1-ol
SMILESCc1ccc(F)c(C(O)CCCc2cccs2)c1
InChIInChI=1S/C15H17FOS/c1-11-7-8-14(16)13(10-11)15(17)6-2-4-12-5-3-9-18-12/h3,5,7-10,15,17H,2,4,6H2,1H3
InChIKeyNEGXYTNPYMKKCJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.25
Rot. Bonds5

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

1-(2-fluoro-5-methylphenyl)-4-thiophen-2-ylbutan-1-ol (PubChem CID 105094222) has the molecular formula C15H17FOS and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-4-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-4-thiophen-2-ylbutan-1-ol
PubChem CID105094222
Molecular FormulaC15H17FOS
Molecular Weight264.37 g/mol
Exact Mass264.10
IUPAC Name1-(2-fluoro-5-methylphenyl)-4-thiophen-2-ylbutan-1-ol
SMILESCc1ccc(F)c(C(O)CCCc2cccs2)c1
InChIInChI=1S/C15H17FOS/c1-11-7-8-14(16)13(10-11)15(17)6-2-4-12-5-3-9-18-12/h3,5,7-10,15,17H,2,4,6H2,1H3
InChIKeyNEGXYTNPYMKKCJ-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluoro-5-methylphenyl)-4-thiophen-2-ylbutan-1-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-(2-fluoro-5-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115860775
[1-(2-fluoro-5-methylphenyl)-2-thiophen-2-ylethyl]hydrazine
CID 105211767
1-(2-fluoro-5-methylphenyl)undecan-1-ol
CID 115789089
1-(2-fluoro-5-methylphenyl)-4-methylsulfonylbutan-1-ol
CID 115780077
1-(2,5-difluorophenyl)-2-thiophen-2-ylethanol
CID 62802428
4-ethylsulfonyl-1-(2-fluoro-5-methylphenyl)butan-1-ol
CID 115803626
2-methyl-6-thiophen-2-ylhexan-3-ol
CID 63774630
1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486832
1-(2-methoxy-3,4-dimethylphenyl)-4-thiophen-2-ylbutan-1-ol
CID 103435667
1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine
CID 105142448
1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
CID 115800366
2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115790170

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-4-thiophen-2-ylbutan-1-ol?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-4-thiophen-2-ylbutan-1-ol (CID 105094222) is 1-(2-fluoro-5-methylphenyl)-4-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-4-thiophen-2-ylbutan-1-ol?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-4-thiophen-2-ylbutan-1-ol is Cc1ccc(F)c(C(O)CCCc2cccs2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-4-thiophen-2-ylbutan-1-ol?
The InChIKey is NEGXYTNPYMKKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FOS/c1-11-7-8-14(16)13(10-11)15(17)6-2-4-12-5-3-9-18-12/h3,5,7-10,15,17H,2,4,6H2,1H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-4-thiophen-2-ylbutan-1-ol?
1-(2-fluoro-5-methylphenyl)-4-thiophen-2-ylbutan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-4-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 105094222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).