3-(fluoromethyl)-9-methyl-9-(2-methylphenoxy)-1-propylthioxanthene

C25H25FOS — CID 142356878

IUPAC3-(fluoromethyl)-9-methyl-9-(2-methylphenoxy)-1-propylthioxanthene
SMILESCCCc1cc(CF)cc2c1C(C)(Oc1ccccc1C)c1ccccc1S2
InChIInChI=1S/C25H25FOS/c1-4-9-19-14-18(16-26)15-23-24(19)25(3,20-11-6-8-13-22(20)28-23)27-21-12-7-5-10-17(21)2/h5-8,10-15H,4,9,16H2,1-3H3
InChIKeyVRHWPFXRPWHZTN-UHFFFAOYSA-N
MW392.54 g/mol
LogP7.22
Rot. Bonds5

About 3-(fluoromethyl)-9-methyl-9-(2-methylphenoxy)-1-propylthioxanthene

3-(fluoromethyl)-9-methyl-9-(2-methylphenoxy)-1-propylthioxanthene (PubChem CID 142356878) has the molecular formula C25H25FOS and a molecular weight of 392.54 g/mol. Its IUPAC name is 3-(fluoromethyl)-9-methyl-9-(2-methylphenoxy)-1-propylthioxanthene.

Molecular Properties

Compound Name3-(fluoromethyl)-9-methyl-9-(2-methylphenoxy)-1-propylthioxanthene
PubChem CID142356878
Molecular FormulaC25H25FOS
Molecular Weight392.54 g/mol
Exact Mass392.16
IUPAC Name3-(fluoromethyl)-9-methyl-9-(2-methylphenoxy)-1-propylthioxanthene
SMILESCCCc1cc(CF)cc2c1C(C)(Oc1ccccc1C)c1ccccc1S2
InChIInChI=1S/C25H25FOS/c1-4-9-19-14-18(16-26)15-23-24(19)25(3,20-11-6-8-13-22(20)28-23)27-21-12-7-5-10-17(21)2/h5-8,10-15H,4,9,16H2,1-3H3
InChIKeyVRHWPFXRPWHZTN-UHFFFAOYSA-N
XLogP7.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 46232577
9-Mesitylxanthene
CID 12142255
Spiro[naphtho[2,1-b]pyran-3,9'-thioxanthene]
CID 19084324
9-(4-Methoxyphenyl)sulfanylanthracene
CID 134961540
4-[3-[4-[(4-Fluorophenoxy)methyl]phenyl]sulfanylphenyl]-4-methoxyoxane
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4-[3-Fluoro-5-(4-phenoxyphenyl)sulfanylphenyl]-4-methoxyoxane
CID 19106797
1-[3-Fluoro-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethyl-4-(4-methylsulfanylphenyl)benzene
CID 23538124
[2,6-dimethyl-4-(9H-thioxanthen-10-ium-10-yl)phenyl] 2,2,2-trifluoroacetate
CID 59510983
4-[(3-Ethenylphenyl)methoxy]-1-fluoro-9-methylidenethioxanthene
CID 67472858
1-Fluoro-5-methyl-2-[3-(phenoxymethyl)phenyl]-4-(2,2,2-trifluoroethylsulfanyl)benzene
CID 71271749
6-[(4-Tert-butylphenyl)methylsulfanyl]-2-(fluoromethyl)-2-methylchromene
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4-Trifluoromethanesulfonylbenzo[kl]xanthene
CID 86702312

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-9-methyl-9-(2-methylphenoxy)-1-propylthioxanthene?
The IUPAC name of 3-(fluoromethyl)-9-methyl-9-(2-methylphenoxy)-1-propylthioxanthene (CID 142356878) is 3-(fluoromethyl)-9-methyl-9-(2-methylphenoxy)-1-propylthioxanthene.
What is the SMILES notation for 3-(fluoromethyl)-9-methyl-9-(2-methylphenoxy)-1-propylthioxanthene?
The canonical SMILES for 3-(fluoromethyl)-9-methyl-9-(2-methylphenoxy)-1-propylthioxanthene is CCCc1cc(CF)cc2c1C(C)(Oc1ccccc1C)c1ccccc1S2.
What is the InChIKey of 3-(fluoromethyl)-9-methyl-9-(2-methylphenoxy)-1-propylthioxanthene?
The InChIKey is VRHWPFXRPWHZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FOS/c1-4-9-19-14-18(16-26)15-23-24(19)25(3,20-11-6-8-13-22(20)28-23)27-21-12-7-5-10-17(21)2/h5-8,10-15H,4,9,16H2,1-3H3.
What are the key properties of 3-(fluoromethyl)-9-methyl-9-(2-methylphenoxy)-1-propylthioxanthene?
3-(fluoromethyl)-9-methyl-9-(2-methylphenoxy)-1-propylthioxanthene has a molecular weight of 392.54 g/mol, XLogP of 7.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-9-methyl-9-(2-methylphenoxy)-1-propylthioxanthene is sourced from PubChem (CID 142356878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).