3-fluoro-2-phenylthiochromen-4-one

C15H9FOS — CID 11097189

IUPAC3-fluoro-2-phenylthiochromen-4-one
SMILESO=c1c(F)c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C15H9FOS/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9H
InChIKeyCOBHEMOKIMDMEC-UHFFFAOYSA-N
MW256.30 g/mol
LogP4.07
Rot. Bonds1

About 3-fluoro-2-phenylthiochromen-4-one

3-fluoro-2-phenylthiochromen-4-one (PubChem CID 11097189) has the molecular formula C15H9FOS and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-fluoro-2-phenylthiochromen-4-one.

Molecular Properties

Compound Name3-fluoro-2-phenylthiochromen-4-one
PubChem CID11097189
Molecular FormulaC15H9FOS
Molecular Weight256.30 g/mol
Exact Mass256.04
IUPAC Name3-fluoro-2-phenylthiochromen-4-one
SMILESO=c1c(F)c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C15H9FOS/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9H
InChIKeyCOBHEMOKIMDMEC-UHFFFAOYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1'-biphenyl;thioxanthen-9-one
CID 159774057
2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
CID 15625929
3-diphenylphosphoryl-2-phenylthiochromen-4-one
CID 162409367
3-methylsulfanyl-2-phenyl-1-benzothiophene
CID 15572646
2-phenyl-3-[(2-phenyl-1-benzothiophen-3-yl)sulfonyl]-1-benzothiophene
CID 170560290
aniline;thioxanthen-9-one
CID 157172339
4-fluorothioxanthen-9-one
CID 54319807
thioxanthene-1,4,9-trione
CID 102259216
10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione
CID 10615659
2-phenyl-3-[(1S)-1-phenylethyl]-1-benzothiophene
CID 134837415
N-[(2-phenyl-1-benzothiophen-3-yl)methyl]acetamide
CID 16639892
N-ethyl-N-methyl-2-phenyl-1-benzothiophen-3-amine
CID 21315894

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-phenylthiochromen-4-one?
The IUPAC name of 3-fluoro-2-phenylthiochromen-4-one (CID 11097189) is 3-fluoro-2-phenylthiochromen-4-one.
What is the SMILES notation for 3-fluoro-2-phenylthiochromen-4-one?
The canonical SMILES for 3-fluoro-2-phenylthiochromen-4-one is O=c1c(F)c(-c2ccccc2)sc2ccccc12.
What is the InChIKey of 3-fluoro-2-phenylthiochromen-4-one?
The InChIKey is COBHEMOKIMDMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FOS/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 3-fluoro-2-phenylthiochromen-4-one?
3-fluoro-2-phenylthiochromen-4-one has a molecular weight of 256.30 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-phenylthiochromen-4-one is sourced from PubChem (CID 11097189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).