2-(4-methoxyphenyl)sulfanyl-1-phenylethanone

C15H14O2S — CID 15206885

IUPAC2-(4-methoxyphenyl)sulfanyl-1-phenylethanone
SMILESCOc1ccc(SCC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14O2S/c1-17-13-7-9-14(10-8-13)18-11-15(16)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyJDKYYLZVBXMRPN-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.67
Rot. Bonds5

About 2-(4-methoxyphenyl)sulfanyl-1-phenylethanone

2-(4-methoxyphenyl)sulfanyl-1-phenylethanone (PubChem CID 15206885) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-1-phenylethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-1-phenylethanone
PubChem CID15206885
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name2-(4-methoxyphenyl)sulfanyl-1-phenylethanone
SMILESCOc1ccc(SCC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14O2S/c1-17-13-7-9-14(10-8-13)18-11-15(16)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyJDKYYLZVBXMRPN-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-1-phenylethanone?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-1-phenylethanone (CID 15206885) is 2-(4-methoxyphenyl)sulfanyl-1-phenylethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-1-phenylethanone?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-1-phenylethanone is COc1ccc(SCC(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-1-phenylethanone?
The InChIKey is JDKYYLZVBXMRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-17-13-7-9-14(10-8-13)18-11-15(16)12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-1-phenylethanone?
2-(4-methoxyphenyl)sulfanyl-1-phenylethanone has a molecular weight of 258.34 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-1-phenylethanone is sourced from PubChem (CID 15206885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).