(3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone

C15H13ClOS — CID 113241964

IUPAC(3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C15H13ClOS/c1-10-3-4-12(9-14(10)16)15(17)11-5-7-13(18-2)8-6-11/h3-9H,1-2H3
InChIKeySTMSKEYUSJBJLA-UHFFFAOYSA-N
MW276.79 g/mol
LogP4.60
Rot. Bonds3

About (3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone

(3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone (PubChem CID 113241964) has the molecular formula C15H13ClOS and a molecular weight of 276.79 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone
PubChem CID113241964
Molecular FormulaC15H13ClOS
Molecular Weight276.79 g/mol
Exact Mass276.04
IUPAC Name(3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C15H13ClOS/c1-10-3-4-12(9-14(10)16)15(17)11-5-7-13(18-2)8-6-11/h3-9H,1-2H3
InChIKeySTMSKEYUSJBJLA-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
(3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone
CID 103693754
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
(4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 79214841
(5-chloro-4-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 102763071
[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
CID 5143805
(3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 114971606
(3-chloro-4-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 115790445
[4-bromo-3-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanone
CID 107561557
(3,5-difluorophenyl)-(4-methylsulfanylphenyl)methanone
CID 2758307
(3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 112694116
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone
CID 113254895

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone (CID 113241964) is (3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone is CSc1ccc(C(=O)c2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of (3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone?
The InChIKey is STMSKEYUSJBJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClOS/c1-10-3-4-12(9-14(10)16)15(17)11-5-7-13(18-2)8-6-11/h3-9H,1-2H3.
What are the key properties of (3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone?
(3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone has a molecular weight of 276.79 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 113241964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).