4-[(3-ethenylphenyl)methoxy]-1-fluoro-9-methylidenethioxanthene

C23H17FOS — CID 67472858

IUPAC4-[(3-ethenylphenyl)methoxy]-1-fluoro-9-methylidenethioxanthene
SMILESC=Cc1cccc(COc2ccc(F)c3c2Sc2ccccc2C3=C)c1
InChIInChI=1S/C23H17FOS/c1-3-16-7-6-8-17(13-16)14-25-20-12-11-19(24)22-15(2)18-9-4-5-10-21(18)26-23(20)22/h3-13H,1-2,14H2
InChIKeyVYHYFZRSGYBRDB-UHFFFAOYSA-N
MW360.45 g/mol
LogP6.57
Rot. Bonds4

About 4-[(3-ethenylphenyl)methoxy]-1-fluoro-9-methylidenethioxanthene

4-[(3-ethenylphenyl)methoxy]-1-fluoro-9-methylidenethioxanthene (PubChem CID 67472858) has the molecular formula C23H17FOS and a molecular weight of 360.45 g/mol. Its IUPAC name is 4-[(3-ethenylphenyl)methoxy]-1-fluoro-9-methylidenethioxanthene.

Molecular Properties

Compound Name4-[(3-ethenylphenyl)methoxy]-1-fluoro-9-methylidenethioxanthene
PubChem CID67472858
Molecular FormulaC23H17FOS
Molecular Weight360.45 g/mol
Exact Mass360.10
IUPAC Name4-[(3-ethenylphenyl)methoxy]-1-fluoro-9-methylidenethioxanthene
SMILESC=Cc1cccc(COc2ccc(F)c3c2Sc2ccccc2C3=C)c1
InChIInChI=1S/C23H17FOS/c1-3-16-7-6-8-17(13-16)14-25-20-12-11-19(24)22-15(2)18-9-4-5-10-21(18)26-23(20)22/h3-13H,1-2,14H2
InChIKeyVYHYFZRSGYBRDB-UHFFFAOYSA-N
XLogP6.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethenylphenyl)methoxy]-1-fluoro-9-methylidenethioxanthene?
The IUPAC name of 4-[(3-ethenylphenyl)methoxy]-1-fluoro-9-methylidenethioxanthene (CID 67472858) is 4-[(3-ethenylphenyl)methoxy]-1-fluoro-9-methylidenethioxanthene.
What is the SMILES notation for 4-[(3-ethenylphenyl)methoxy]-1-fluoro-9-methylidenethioxanthene?
The canonical SMILES for 4-[(3-ethenylphenyl)methoxy]-1-fluoro-9-methylidenethioxanthene is C=Cc1cccc(COc2ccc(F)c3c2Sc2ccccc2C3=C)c1.
What is the InChIKey of 4-[(3-ethenylphenyl)methoxy]-1-fluoro-9-methylidenethioxanthene?
The InChIKey is VYHYFZRSGYBRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FOS/c1-3-16-7-6-8-17(13-16)14-25-20-12-11-19(24)22-15(2)18-9-4-5-10-21(18)26-23(20)22/h3-13H,1-2,14H2.
What are the key properties of 4-[(3-ethenylphenyl)methoxy]-1-fluoro-9-methylidenethioxanthene?
4-[(3-ethenylphenyl)methoxy]-1-fluoro-9-methylidenethioxanthene has a molecular weight of 360.45 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethenylphenyl)methoxy]-1-fluoro-9-methylidenethioxanthene is sourced from PubChem (CID 67472858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).