(2-chloro-4-fluorophenyl)-(4-methyl-2-methylsulfanylphenyl)methanone

C15H12ClFOS — CID 142346682

IUPAC(2-chloro-4-fluorophenyl)-(4-methyl-2-methylsulfanylphenyl)methanone
SMILESCSc1cc(C)ccc1C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C15H12ClFOS/c1-9-3-5-12(14(7-9)19-2)15(18)11-6-4-10(17)8-13(11)16/h3-8H,1-2H3
InChIKeyTYLVBZLNCDIGHN-UHFFFAOYSA-N
MW294.78 g/mol
LogP4.74
Rot. Bonds3

About (2-chloro-4-fluorophenyl)-(4-methyl-2-methylsulfanylphenyl)methanone

(2-chloro-4-fluorophenyl)-(4-methyl-2-methylsulfanylphenyl)methanone (PubChem CID 142346682) has the molecular formula C15H12ClFOS and a molecular weight of 294.78 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(4-methyl-2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(4-methyl-2-methylsulfanylphenyl)methanone
PubChem CID142346682
Molecular FormulaC15H12ClFOS
Molecular Weight294.78 g/mol
Exact Mass294.03
IUPAC Name(2-chloro-4-fluorophenyl)-(4-methyl-2-methylsulfanylphenyl)methanone
SMILESCSc1cc(C)ccc1C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C15H12ClFOS/c1-9-3-5-12(14(7-9)19-2)15(18)11-6-4-10(17)8-13(11)16/h3-8H,1-2H3
InChIKeyTYLVBZLNCDIGHN-UHFFFAOYSA-N
XLogP4.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43159718
(2-chloro-4-fluorophenyl)-(4-chloro-2-methylphenyl)methanone
CID 146005847
(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanone
CID 62946338
(2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 106860788
(2,4-dichlorophenyl)-(2-methylsulfanylphenyl)methanone
CID 79214960
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone
CID 43162222
(2-chlorophenyl)-(2-fluoro-4-methylphenyl)methanone
CID 114963346
(4-fluoro-2-methylsulfanylphenyl)-phenylmethanone
CID 70476980
(4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 18618724
(2,4-dichlorophenyl)-(2,4-difluorophenyl)methanone
CID 43159987
(2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 106864991
2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide
CID 17167985

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(4-methyl-2-methylsulfanylphenyl)methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-(4-methyl-2-methylsulfanylphenyl)methanone (CID 142346682) is (2-chloro-4-fluorophenyl)-(4-methyl-2-methylsulfanylphenyl)methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(4-methyl-2-methylsulfanylphenyl)methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(4-methyl-2-methylsulfanylphenyl)methanone is CSc1cc(C)ccc1C(=O)c1ccc(F)cc1Cl.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(4-methyl-2-methylsulfanylphenyl)methanone?
The InChIKey is TYLVBZLNCDIGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFOS/c1-9-3-5-12(14(7-9)19-2)15(18)11-6-4-10(17)8-13(11)16/h3-8H,1-2H3.
What are the key properties of (2-chloro-4-fluorophenyl)-(4-methyl-2-methylsulfanylphenyl)methanone?
(2-chloro-4-fluorophenyl)-(4-methyl-2-methylsulfanylphenyl)methanone has a molecular weight of 294.78 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-(4-methyl-2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 142346682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).