3-(3-fluoro-5-naphthalen-2-ylsulfanylphenyl)-2-methyloxolan-3-ol

C21H19FO2S — CID 19764793

IUPAC3-(3-fluoro-5-naphthalen-2-ylsulfanylphenyl)-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)c1cc(F)cc(Sc2ccc3ccccc3c2)c1
InChIInChI=1S/C21H19FO2S/c1-14-21(23,8-9-24-14)17-11-18(22)13-20(12-17)25-19-7-6-15-4-2-3-5-16(15)10-19/h2-7,10-14,23H,8-9H2,1H3
InChIKeyJHJMYGMLWYVYHW-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.13
Rot. Bonds3

About 3-(3-fluoro-5-naphthalen-2-ylsulfanylphenyl)-2-methyloxolan-3-ol

3-(3-fluoro-5-naphthalen-2-ylsulfanylphenyl)-2-methyloxolan-3-ol (PubChem CID 19764793) has the molecular formula C21H19FO2S and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(3-fluoro-5-naphthalen-2-ylsulfanylphenyl)-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-(3-fluoro-5-naphthalen-2-ylsulfanylphenyl)-2-methyloxolan-3-ol
PubChem CID19764793
Molecular FormulaC21H19FO2S
Molecular Weight354.45 g/mol
Exact Mass354.11
IUPAC Name3-(3-fluoro-5-naphthalen-2-ylsulfanylphenyl)-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)c1cc(F)cc(Sc2ccc3ccccc3c2)c1
InChIInChI=1S/C21H19FO2S/c1-14-21(23,8-9-24-14)17-11-18(22)13-20(12-17)25-19-7-6-15-4-2-3-5-16(15)10-19/h2-7,10-14,23H,8-9H2,1H3
InChIKeyJHJMYGMLWYVYHW-UHFFFAOYSA-N
XLogP5.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-fluoro-5-naphthalen-2-ylsulfanylphenyl)-2-methyloxolan-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-naphthalen-2-ylsulfanylphenyl)-2-methyloxolan-3-ol?
The IUPAC name of 3-(3-fluoro-5-naphthalen-2-ylsulfanylphenyl)-2-methyloxolan-3-ol (CID 19764793) is 3-(3-fluoro-5-naphthalen-2-ylsulfanylphenyl)-2-methyloxolan-3-ol.
What is the SMILES notation for 3-(3-fluoro-5-naphthalen-2-ylsulfanylphenyl)-2-methyloxolan-3-ol?
The canonical SMILES for 3-(3-fluoro-5-naphthalen-2-ylsulfanylphenyl)-2-methyloxolan-3-ol is CC1OCCC1(O)c1cc(F)cc(Sc2ccc3ccccc3c2)c1.
What is the InChIKey of 3-(3-fluoro-5-naphthalen-2-ylsulfanylphenyl)-2-methyloxolan-3-ol?
The InChIKey is JHJMYGMLWYVYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FO2S/c1-14-21(23,8-9-24-14)17-11-18(22)13-20(12-17)25-19-7-6-15-4-2-3-5-16(15)10-19/h2-7,10-14,23H,8-9H2,1H3.
What are the key properties of 3-(3-fluoro-5-naphthalen-2-ylsulfanylphenyl)-2-methyloxolan-3-ol?
3-(3-fluoro-5-naphthalen-2-ylsulfanylphenyl)-2-methyloxolan-3-ol has a molecular weight of 354.45 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-naphthalen-2-ylsulfanylphenyl)-2-methyloxolan-3-ol is sourced from PubChem (CID 19764793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).