2-methoxy-1-phenyl-2-phenylsulfanylethanone

C15H14O2S — CID 12935811

IUPAC2-methoxy-1-phenyl-2-phenylsulfanylethanone
SMILESCOC(Sc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C15H14O2S/c1-17-15(18-13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,15H,1H3
InChIKeyLGSXHGISYSETSL-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.63
Rot. Bonds5

About 2-methoxy-1-phenyl-2-phenylsulfanylethanone

2-methoxy-1-phenyl-2-phenylsulfanylethanone (PubChem CID 12935811) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-methoxy-1-phenyl-2-phenylsulfanylethanone.

Molecular Properties

Compound Name2-methoxy-1-phenyl-2-phenylsulfanylethanone
PubChem CID12935811
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name2-methoxy-1-phenyl-2-phenylsulfanylethanone
SMILESCOC(Sc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C15H14O2S/c1-17-15(18-13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,15H,1H3
InChIKeyLGSXHGISYSETSL-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-phenyl-2-phenylsulfanylethanone?
The IUPAC name of 2-methoxy-1-phenyl-2-phenylsulfanylethanone (CID 12935811) is 2-methoxy-1-phenyl-2-phenylsulfanylethanone.
What is the SMILES notation for 2-methoxy-1-phenyl-2-phenylsulfanylethanone?
The canonical SMILES for 2-methoxy-1-phenyl-2-phenylsulfanylethanone is COC(Sc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2-methoxy-1-phenyl-2-phenylsulfanylethanone?
The InChIKey is LGSXHGISYSETSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-17-15(18-13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,15H,1H3.
What are the key properties of 2-methoxy-1-phenyl-2-phenylsulfanylethanone?
2-methoxy-1-phenyl-2-phenylsulfanylethanone has a molecular weight of 258.34 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-phenyl-2-phenylsulfanylethanone is sourced from PubChem (CID 12935811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).