1-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfinylethanone

C16H16O4S — CID 64635946

IUPAC1-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfinylethanone
SMILESCOc1ccc(S(=O)CC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C16H16O4S/c1-19-13-6-8-15(9-7-13)21(18)11-16(17)12-4-3-5-14(10-12)20-2/h3-10H,11H2,1-2H3
InChIKeyWSDBMEBGSLOLIS-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.69
Rot. Bonds6

About 1-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfinylethanone

1-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfinylethanone (PubChem CID 64635946) has the molecular formula C16H16O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfinylethanone
PubChem CID64635946
Molecular FormulaC16H16O4S
Molecular Weight304.37 g/mol
Exact Mass304.08
IUPAC Name1-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfinylethanone
SMILESCOc1ccc(S(=O)CC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C16H16O4S/c1-19-13-6-8-15(9-7-13)21(18)11-16(17)12-4-3-5-14(10-12)20-2/h3-10H,11H2,1-2H3
InChIKeyWSDBMEBGSLOLIS-UHFFFAOYSA-N
XLogP2.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone
CID 64641307
2-(3-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone
CID 64635118
2-butylsulfinyl-1-(3-methoxyphenyl)ethanone
CID 64640337
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
1-(3-methoxyphenyl)-2-(3-methoxypropylsulfinyl)ethanone
CID 64637403
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
1-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone
CID 64635886
4-fluoro-1-(3-methoxyphenyl)butan-1-one
CID 135043866
4-methoxy-1-(3-methoxyphenyl)butan-1-one
CID 62620743
1-(3-methoxyphenyl)sulfinylbutan-2-one
CID 64640851
1-(3-methoxyphenyl)tetradecan-1-one
CID 146007363
1-(2,5-dimethylthiophen-3-yl)-2-(4-methoxyphenyl)sulfinylethanone
CID 64638239

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfinylethanone?
The IUPAC name of 1-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfinylethanone (CID 64635946) is 1-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfinylethanone.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfinylethanone?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfinylethanone is COc1ccc(S(=O)CC(=O)c2cccc(OC)c2)cc1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfinylethanone?
The InChIKey is WSDBMEBGSLOLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4S/c1-19-13-6-8-15(9-7-13)21(18)11-16(17)12-4-3-5-14(10-12)20-2/h3-10H,11H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfinylethanone?
1-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfinylethanone has a molecular weight of 304.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfinylethanone is sourced from PubChem (CID 64635946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).