1-[3-fluoro-4-(4-methylsulfanylphenoxy)phenyl]ethanone

C15H13FO2S — CID 63647834

IUPAC1-[3-fluoro-4-(4-methylsulfanylphenoxy)phenyl]ethanone
SMILESCSc1ccc(Oc2ccc(C(C)=O)cc2F)cc1
InChIInChI=1S/C15H13FO2S/c1-10(17)11-3-8-15(14(16)9-11)18-12-4-6-13(19-2)7-5-12/h3-9H,1-2H3
InChIKeyANTBVMHAQNCPTE-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.54
Rot. Bonds4

About 1-[3-fluoro-4-(4-methylsulfanylphenoxy)phenyl]ethanone

1-[3-fluoro-4-(4-methylsulfanylphenoxy)phenyl]ethanone (PubChem CID 63647834) has the molecular formula C15H13FO2S and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-[3-fluoro-4-(4-methylsulfanylphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-(4-methylsulfanylphenoxy)phenyl]ethanone
PubChem CID63647834
Molecular FormulaC15H13FO2S
Molecular Weight276.33 g/mol
Exact Mass276.06
IUPAC Name1-[3-fluoro-4-(4-methylsulfanylphenoxy)phenyl]ethanone
SMILESCSc1ccc(Oc2ccc(C(C)=O)cc2F)cc1
InChIInChI=1S/C15H13FO2S/c1-10(17)11-3-8-15(14(16)9-11)18-12-4-6-13(19-2)7-5-12/h3-9H,1-2H3
InChIKeyANTBVMHAQNCPTE-UHFFFAOYSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(4-acetyl-2-fluorophenoxy)benzoate
CID 60674012
1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 142414912
1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone
CID 63532362
1-[4-(4-bromo-3,5-dimethylphenoxy)-3-fluorophenyl]ethanone
CID 107724721
3-(4-acetyl-2-fluorophenoxy)benzoic acid
CID 61395599
1-[3-fluoro-4-(3-methylsulfonylphenoxy)phenyl]ethanone
CID 43807076
3-fluoro-4-(4-hydroxyphenoxy)benzoic acid
CID 165360541
1-[3-fluoro-4-(3-nitrophenoxy)phenyl]ethanone
CID 61030514
3-fluoro-4-(4-hydroxyphenoxy)benzamide
CID 60870089
2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid
CID 115298221
1-[3-bromo-4-(4-bromo-3-fluorophenoxy)phenyl]ethanone
CID 65201166
1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone
CID 63532817

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(4-methylsulfanylphenoxy)phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-(4-methylsulfanylphenoxy)phenyl]ethanone (CID 63647834) is 1-[3-fluoro-4-(4-methylsulfanylphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-(4-methylsulfanylphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-(4-methylsulfanylphenoxy)phenyl]ethanone is CSc1ccc(Oc2ccc(C(C)=O)cc2F)cc1.
What is the InChIKey of 1-[3-fluoro-4-(4-methylsulfanylphenoxy)phenyl]ethanone?
The InChIKey is ANTBVMHAQNCPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2S/c1-10(17)11-3-8-15(14(16)9-11)18-12-4-6-13(19-2)7-5-12/h3-9H,1-2H3.
What are the key properties of 1-[3-fluoro-4-(4-methylsulfanylphenoxy)phenyl]ethanone?
1-[3-fluoro-4-(4-methylsulfanylphenoxy)phenyl]ethanone has a molecular weight of 276.33 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(4-methylsulfanylphenoxy)phenyl]ethanone is sourced from PubChem (CID 63647834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).