4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol

C13H20O4S — CID 65097851

IUPAC4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol
SMILESCCS(=O)(=O)CCCC(O)c1ccccc1OC
InChIInChI=1S/C13H20O4S/c1-3-18(15,16)10-6-8-12(14)11-7-4-5-9-13(11)17-2/h4-5,7,9,12,14H,3,6,8,10H2,1-2H3
InChIKeyBHAISHIMZPOEGG-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.94
Rot. Bonds7

About 4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol

4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol (PubChem CID 65097851) has the molecular formula C13H20O4S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol
PubChem CID65097851
Molecular FormulaC13H20O4S
Molecular Weight272.37 g/mol
Exact Mass272.11
IUPAC Name4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol
SMILESCCS(=O)(=O)CCCC(O)c1ccccc1OC
InChIInChI=1S/C13H20O4S/c1-3-18(15,16)10-6-8-12(14)11-7-4-5-9-13(11)17-2/h4-5,7,9,12,14H,3,6,8,10H2,1-2H3
InChIKeyBHAISHIMZPOEGG-UHFFFAOYSA-N
XLogP1.94
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethoxyphenyl)-4-ethylsulfonylbutan-1-ol
CID 115803647
1-(5-bromo-2-methoxyphenyl)-4-ethylsulfonylbutan-1-ol
CID 65145596
(1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol
CID 65098384
(1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol
CID 94256955
3-chloro-1-(2-methoxyphenyl)propan-1-ol
CID 22621589
3-ethoxy-1-(2-methoxyphenyl)propan-1-ol
CID 112688199
1-(2-ethoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 65145486
[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl] methanesulfonate
CID 87403011
1-(5-chloro-2-methoxyphenyl)-4-methylsulfonylbutan-1-ol
CID 115780241
3-(dimethylamino)-1-(2-methoxyphenyl)propan-1-ol
CID 69429374
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
CID 103960501
3-methylsulfonyl-1-[2-(trifluoromethoxy)phenyl]propan-1-ol
CID 65148158

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol?
The IUPAC name of 4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol (CID 65097851) is 4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol.
What is the SMILES notation for 4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol?
The canonical SMILES for 4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol is CCS(=O)(=O)CCCC(O)c1ccccc1OC.
What is the InChIKey of 4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol?
The InChIKey is BHAISHIMZPOEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4S/c1-3-18(15,16)10-6-8-12(14)11-7-4-5-9-13(11)17-2/h4-5,7,9,12,14H,3,6,8,10H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol?
4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol has a molecular weight of 272.37 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 65097851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).