(3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone

C15H13FOS — CID 112694116

IUPAC(3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)c2cc(C)cc(F)c2)cc1
InChIInChI=1S/C15H13FOS/c1-10-7-12(9-13(16)8-10)15(17)11-3-5-14(18-2)6-4-11/h3-9H,1-2H3
InChIKeyQJYNLECIQHUDLQ-UHFFFAOYSA-N
MW260.33 g/mol
LogP4.09
Rot. Bonds3

About (3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone

(3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone (PubChem CID 112694116) has the molecular formula C15H13FOS and a molecular weight of 260.33 g/mol. Its IUPAC name is (3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone
PubChem CID112694116
Molecular FormulaC15H13FOS
Molecular Weight260.33 g/mol
Exact Mass260.07
IUPAC Name(3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)c2cc(C)cc(F)c2)cc1
InChIInChI=1S/C15H13FOS/c1-10-7-12(9-13(16)8-10)15(17)11-3-5-14(18-2)6-4-11/h3-9H,1-2H3
InChIKeyQJYNLECIQHUDLQ-UHFFFAOYSA-N
XLogP4.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-difluorophenyl)-(4-methylsulfanylphenyl)methanone
CID 2758307
(4-bromophenyl)-(3-fluoro-5-methylphenyl)methanone
CID 24723251
(3,5-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159976
(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone
CID 2758285
(3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 79020421
(3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 113241964
(3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanone
CID 103214281
(3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115787635
(3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone
CID 115374080
(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693773
[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone
CID 107288415
bis(3,5-difluorophenyl)methanone
CID 2760569

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone?
The IUPAC name of (3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone (CID 112694116) is (3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for (3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for (3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone is CSc1ccc(C(=O)c2cc(C)cc(F)c2)cc1.
What is the InChIKey of (3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone?
The InChIKey is QJYNLECIQHUDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FOS/c1-10-7-12(9-13(16)8-10)15(17)11-3-5-14(18-2)6-4-11/h3-9H,1-2H3.
What are the key properties of (3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone?
(3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone has a molecular weight of 260.33 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 112694116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).