2-hydroxy-2-(4-methylsulfanylphenyl)-1-phenylethanone

C15H14O2S — CID 18463573

IUPAC2-hydroxy-2-(4-methylsulfanylphenyl)-1-phenylethanone
SMILESCSc1ccc(C(O)C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14O2S/c1-18-13-9-7-12(8-10-13)15(17)14(16)11-5-3-2-4-6-11/h2-10,15,17H,1H3
InChIKeyGURZNLUGWMCKNM-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.32
Rot. Bonds4

About 2-hydroxy-2-(4-methylsulfanylphenyl)-1-phenylethanone

2-hydroxy-2-(4-methylsulfanylphenyl)-1-phenylethanone (PubChem CID 18463573) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-hydroxy-2-(4-methylsulfanylphenyl)-1-phenylethanone.

Molecular Properties

Compound Name2-hydroxy-2-(4-methylsulfanylphenyl)-1-phenylethanone
PubChem CID18463573
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name2-hydroxy-2-(4-methylsulfanylphenyl)-1-phenylethanone
SMILESCSc1ccc(C(O)C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14O2S/c1-18-13-9-7-12(8-10-13)15(17)14(16)11-5-3-2-4-6-11/h2-10,15,17H,1H3
InChIKeyGURZNLUGWMCKNM-UHFFFAOYSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-methylsulfanylphenyl)-1-phenylethanone?
The IUPAC name of 2-hydroxy-2-(4-methylsulfanylphenyl)-1-phenylethanone (CID 18463573) is 2-hydroxy-2-(4-methylsulfanylphenyl)-1-phenylethanone.
What is the SMILES notation for 2-hydroxy-2-(4-methylsulfanylphenyl)-1-phenylethanone?
The canonical SMILES for 2-hydroxy-2-(4-methylsulfanylphenyl)-1-phenylethanone is CSc1ccc(C(O)C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-hydroxy-2-(4-methylsulfanylphenyl)-1-phenylethanone?
The InChIKey is GURZNLUGWMCKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-18-13-9-7-12(8-10-13)15(17)14(16)11-5-3-2-4-6-11/h2-10,15,17H,1H3.
What are the key properties of 2-hydroxy-2-(4-methylsulfanylphenyl)-1-phenylethanone?
2-hydroxy-2-(4-methylsulfanylphenyl)-1-phenylethanone has a molecular weight of 258.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-methylsulfanylphenyl)-1-phenylethanone is sourced from PubChem (CID 18463573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).