1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone

C16H16O2S — CID 2191699

IUPAC1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
SMILESCOc1ccc(C(=O)CSc2ccc(C)cc2)cc1
InChIInChI=1S/C16H16O2S/c1-12-3-9-15(10-4-12)19-11-16(17)13-5-7-14(18-2)8-6-13/h3-10H,11H2,1-2H3
InChIKeyQADYOUIDBBEQLG-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.98
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone

1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone (PubChem CID 2191699) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
PubChem CID2191699
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
SMILESCOc1ccc(C(=O)CSc2ccc(C)cc2)cc1
InChIInChI=1S/C16H16O2S/c1-12-3-9-15(10-4-12)19-11-16(17)13-5-7-14(18-2)8-6-13/h3-10H,11H2,1-2H3
InChIKeyQADYOUIDBBEQLG-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone (CID 2191699) is 1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone is COc1ccc(C(=O)CSc2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone?
The InChIKey is QADYOUIDBBEQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S/c1-12-3-9-15(10-4-12)19-11-16(17)13-5-7-14(18-2)8-6-13/h3-10H,11H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone?
1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone has a molecular weight of 272.37 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone is sourced from PubChem (CID 2191699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).