(2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone

C15H13FO2S — CID 79215178

IUPAC(2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(SC)cc2)c(F)c1
InChIInChI=1S/C15H13FO2S/c1-18-11-5-8-13(14(16)9-11)15(17)10-3-6-12(19-2)7-4-10/h3-9H,1-2H3
InChIKeyKVXVAJHMZRLOHB-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.79
Rot. Bonds4

About (2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone

(2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone (PubChem CID 79215178) has the molecular formula C15H13FO2S and a molecular weight of 276.33 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone
PubChem CID79215178
Molecular FormulaC15H13FO2S
Molecular Weight276.33 g/mol
Exact Mass276.06
IUPAC Name(2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(SC)cc2)c(F)c1
InChIInChI=1S/C15H13FO2S/c1-18-11-5-8-13(14(16)9-11)15(17)10-3-6-12(19-2)7-4-10/h3-9H,1-2H3
InChIKeyKVXVAJHMZRLOHB-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
(2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone
CID 112694184
(2-fluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 43561161
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
(3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561111
(4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561120
(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 22314037
(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693773
(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693772
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225
(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 61033565

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone (CID 79215178) is (2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone is COc1ccc(C(=O)c2ccc(SC)cc2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone?
The InChIKey is KVXVAJHMZRLOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2S/c1-18-11-5-8-13(14(16)9-11)15(17)10-3-6-12(19-2)7-4-10/h3-9H,1-2H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone?
(2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone has a molecular weight of 276.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 79215178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).