2-butylsulfinyl-1-(2-methoxy-4-methylphenyl)ethanone

C14H20O3S — CID 64640336

IUPAC2-butylsulfinyl-1-(2-methoxy-4-methylphenyl)ethanone
SMILESCCCCS(=O)CC(=O)c1ccc(C)cc1OC
InChIInChI=1S/C14H20O3S/c1-4-5-8-18(16)10-13(15)12-7-6-11(2)9-14(12)17-3/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyUSFQDVNUWROAPS-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.74
Rot. Bonds7

About 2-butylsulfinyl-1-(2-methoxy-4-methylphenyl)ethanone

2-butylsulfinyl-1-(2-methoxy-4-methylphenyl)ethanone (PubChem CID 64640336) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-butylsulfinyl-1-(2-methoxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-butylsulfinyl-1-(2-methoxy-4-methylphenyl)ethanone
PubChem CID64640336
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name2-butylsulfinyl-1-(2-methoxy-4-methylphenyl)ethanone
SMILESCCCCS(=O)CC(=O)c1ccc(C)cc1OC
InChIInChI=1S/C14H20O3S/c1-4-5-8-18(16)10-13(15)12-7-6-11(2)9-14(12)17-3/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyUSFQDVNUWROAPS-UHFFFAOYSA-N
XLogP2.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-4-methylphenyl)-2-(2-methylsulfonylethylsulfinyl)ethanone
CID 64635480
1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfinylethanone
CID 64640483
2-(2-fluorophenyl)sulfinyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 64636678
2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790381
1-(2-methoxy-4-methylphenyl)-5,5-dimethylhexan-1-one
CID 114209847
2-butylsulfinyl-1-(3-methoxyphenyl)ethanone
CID 64640337
2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790334
1-(2-methoxy-5-methylphenyl)undecan-1-one
CID 114968931
1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one
CID 115994697
2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone
CID 104563929
1-(2-methoxy-4-methylphenyl)-2-prop-2-enoxyethanone
CID 62029110
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790359

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-1-(2-methoxy-4-methylphenyl)ethanone?
The IUPAC name of 2-butylsulfinyl-1-(2-methoxy-4-methylphenyl)ethanone (CID 64640336) is 2-butylsulfinyl-1-(2-methoxy-4-methylphenyl)ethanone.
What is the SMILES notation for 2-butylsulfinyl-1-(2-methoxy-4-methylphenyl)ethanone?
The canonical SMILES for 2-butylsulfinyl-1-(2-methoxy-4-methylphenyl)ethanone is CCCCS(=O)CC(=O)c1ccc(C)cc1OC.
What is the InChIKey of 2-butylsulfinyl-1-(2-methoxy-4-methylphenyl)ethanone?
The InChIKey is USFQDVNUWROAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3S/c1-4-5-8-18(16)10-13(15)12-7-6-11(2)9-14(12)17-3/h6-7,9H,4-5,8,10H2,1-3H3.
What are the key properties of 2-butylsulfinyl-1-(2-methoxy-4-methylphenyl)ethanone?
2-butylsulfinyl-1-(2-methoxy-4-methylphenyl)ethanone has a molecular weight of 268.38 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfinyl-1-(2-methoxy-4-methylphenyl)ethanone is sourced from PubChem (CID 64640336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).