3-[3-(cyclopentylsulfanylmethyl)-5-fluorophenyl]prop-2-yn-1-ol

C15H17FOS — CID 79709998

IUPAC3-[3-(cyclopentylsulfanylmethyl)-5-fluorophenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cc(F)cc(CSC2CCCC2)c1
InChIInChI=1S/C15H17FOS/c16-14-9-12(4-3-7-17)8-13(10-14)11-18-15-5-1-2-6-15/h8-10,15,17H,1-2,5-7,11H2
InChIKeyVSKBJMXTBGJVTR-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.35
Rot. Bonds3

About 3-[3-(cyclopentylsulfanylmethyl)-5-fluorophenyl]prop-2-yn-1-ol

3-[3-(cyclopentylsulfanylmethyl)-5-fluorophenyl]prop-2-yn-1-ol (PubChem CID 79709998) has the molecular formula C15H17FOS and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[3-(cyclopentylsulfanylmethyl)-5-fluorophenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[3-(cyclopentylsulfanylmethyl)-5-fluorophenyl]prop-2-yn-1-ol
PubChem CID79709998
Molecular FormulaC15H17FOS
Molecular Weight264.37 g/mol
Exact Mass264.10
IUPAC Name3-[3-(cyclopentylsulfanylmethyl)-5-fluorophenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cc(F)cc(CSC2CCCC2)c1
InChIInChI=1S/C15H17FOS/c16-14-9-12(4-3-7-17)8-13(10-14)11-18-15-5-1-2-6-15/h8-10,15,17H,1-2,5-7,11H2
InChIKeyVSKBJMXTBGJVTR-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[3-(cyclopentylsulfanylmethyl)-5-fluorophenyl]prop-2-yn-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

3-[3-fluoro-5-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-ol
CID 79710004
3-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]prop-2-yn-1-ol
CID 79710905
3-[3-[[cyclopropyl(ethyl)amino]methyl]-5-fluorophenyl]prop-2-yn-1-ol
CID 79710746
3-[3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-5-fluorophenyl]prop-2-yn-1-ol
CID 79700234
3-[3-fluoro-5-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 83044304
3-(3-cyclohexyloxy-5-fluorophenyl)prop-2-yn-1-ol
CID 81325582
3-[3-fluoro-5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-ol
CID 79710520
3-[3-[(3-ethylpiperidin-1-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol
CID 79704277
3-[3-[(4,4-dimethylcyclohexyl)oxymethyl]-5-fluorophenyl]prop-2-yn-1-ol
CID 114341902
3-[3-fluoro-5-[(3-methylcyclohexyl)oxymethyl]phenyl]prop-2-yn-1-ol
CID 79710418
3-[3-fluoro-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]prop-2-yn-1-ol
CID 79710131
3-[3-fluoro-5-[[methyl-(4-methylcyclohexyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 79698357

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentylsulfanylmethyl)-5-fluorophenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-(cyclopentylsulfanylmethyl)-5-fluorophenyl]prop-2-yn-1-ol (CID 79709998) is 3-[3-(cyclopentylsulfanylmethyl)-5-fluorophenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-(cyclopentylsulfanylmethyl)-5-fluorophenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-(cyclopentylsulfanylmethyl)-5-fluorophenyl]prop-2-yn-1-ol is OCC#Cc1cc(F)cc(CSC2CCCC2)c1.
What is the InChIKey of 3-[3-(cyclopentylsulfanylmethyl)-5-fluorophenyl]prop-2-yn-1-ol?
The InChIKey is VSKBJMXTBGJVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FOS/c16-14-9-12(4-3-7-17)8-13(10-14)11-18-15-5-1-2-6-15/h8-10,15,17H,1-2,5-7,11H2.
What are the key properties of 3-[3-(cyclopentylsulfanylmethyl)-5-fluorophenyl]prop-2-yn-1-ol?
3-[3-(cyclopentylsulfanylmethyl)-5-fluorophenyl]prop-2-yn-1-ol has a molecular weight of 264.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentylsulfanylmethyl)-5-fluorophenyl]prop-2-yn-1-ol is sourced from PubChem (CID 79709998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).