1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanone

C14H20O5S — CID 106725008

IUPAC1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanone
SMILESCCCS(=O)(=O)CCOc1cc(OC)ccc1C(C)=O
InChIInChI=1S/C14H20O5S/c1-4-8-20(16,17)9-7-19-14-10-12(18-3)5-6-13(14)11(2)15/h5-6,10H,4,7-9H2,1-3H3
InChIKeyWEZYVRNRWCBYMD-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.10
Rot. Bonds8

About 1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanone

1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanone (PubChem CID 106725008) has the molecular formula C14H20O5S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanone
PubChem CID106725008
Molecular FormulaC14H20O5S
Molecular Weight300.38 g/mol
Exact Mass300.10
IUPAC Name1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanone
SMILESCCCS(=O)(=O)CCOc1cc(OC)ccc1C(C)=O
InChIInChI=1S/C14H20O5S/c1-4-8-20(16,17)9-7-19-14-10-12(18-3)5-6-13(14)11(2)15/h5-6,10H,4,7-9H2,1-3H3
InChIKeyWEZYVRNRWCBYMD-UHFFFAOYSA-N
XLogP2.10
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]methanol
CID 106726179
1-[2-[2-(diethylamino)ethoxy]-4-methoxyphenyl]ethanone
CID 82002145
(1R)-1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106722435
1-chloro-4-methoxy-2-(3-propylsulfonylpropoxy)benzene
CID 140981926
1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106728338
1-[4-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanone
CID 82001830
(NE)-N-[1-[4-methyl-2-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine
CID 106725537
2-fluoro-4-(2-propylsulfonylethoxy)benzoic acid
CID 107675513
2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide
CID 40625824
[4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol
CID 106726141
1-[2-(3-butoxy-2-hydroxypropoxy)-4-methoxyphenyl]ethanone
CID 107263247
1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone
CID 82001376

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanone (CID 106725008) is 1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanone is CCCS(=O)(=O)CCOc1cc(OC)ccc1C(C)=O.
What is the InChIKey of 1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanone?
The InChIKey is WEZYVRNRWCBYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5S/c1-4-8-20(16,17)9-7-19-14-10-12(18-3)5-6-13(14)11(2)15/h5-6,10H,4,7-9H2,1-3H3.
What are the key properties of 1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanone?
1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanone has a molecular weight of 300.38 g/mol, XLogP of 2.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanone is sourced from PubChem (CID 106725008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).