1-(2,6-dimethoxyphenyl)-4-ethylsulfonylbutan-1-ol

C14H22O5S — CID 115803647

IUPAC1-(2,6-dimethoxyphenyl)-4-ethylsulfonylbutan-1-ol
SMILESCCS(=O)(=O)CCCC(O)c1c(OC)cccc1OC
InChIInChI=1S/C14H22O5S/c1-4-20(16,17)10-6-7-11(15)14-12(18-2)8-5-9-13(14)19-3/h5,8-9,11,15H,4,6-7,10H2,1-3H3
InChIKeyGFRLLKYWBWOIFS-UHFFFAOYSA-N
MW302.39 g/mol
LogP1.95
Rot. Bonds8

About 1-(2,6-dimethoxyphenyl)-4-ethylsulfonylbutan-1-ol

1-(2,6-dimethoxyphenyl)-4-ethylsulfonylbutan-1-ol (PubChem CID 115803647) has the molecular formula C14H22O5S and a molecular weight of 302.39 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-4-ethylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-4-ethylsulfonylbutan-1-ol
PubChem CID115803647
Molecular FormulaC14H22O5S
Molecular Weight302.39 g/mol
Exact Mass302.12
IUPAC Name1-(2,6-dimethoxyphenyl)-4-ethylsulfonylbutan-1-ol
SMILESCCS(=O)(=O)CCCC(O)c1c(OC)cccc1OC
InChIInChI=1S/C14H22O5S/c1-4-20(16,17)10-6-7-11(15)14-12(18-2)8-5-9-13(14)19-3/h5,8-9,11,15H,4,6-7,10H2,1-3H3
InChIKeyGFRLLKYWBWOIFS-UHFFFAOYSA-N
XLogP1.95
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol
CID 65097851
1-(5-bromo-2-methoxyphenyl)-4-ethylsulfonylbutan-1-ol
CID 65145596
1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol
CID 115791096
1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 116810226
5-ethylsulfonyl-1-(3-methoxyphenyl)pentan-2-ol
CID 65095333
1-[2-(bromomethyl)-5-ethylsulfonylpentyl]-2-methoxybenzene
CID 66041761
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829
1-(2,6-dimethoxyphenyl)-2-ethylsulfanylethanol
CID 116810152
5-ethylsulfonyl-1-phenylpentan-1-ol
CID 65095328
1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanol
CID 114980746
(1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol
CID 65098384
1-[3-(difluoromethoxy)phenyl]-4-ethylsulfonylbutan-1-ol
CID 115803658

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-4-ethylsulfonylbutan-1-ol?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-4-ethylsulfonylbutan-1-ol (CID 115803647) is 1-(2,6-dimethoxyphenyl)-4-ethylsulfonylbutan-1-ol.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-4-ethylsulfonylbutan-1-ol?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-4-ethylsulfonylbutan-1-ol is CCS(=O)(=O)CCCC(O)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-4-ethylsulfonylbutan-1-ol?
The InChIKey is GFRLLKYWBWOIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5S/c1-4-20(16,17)10-6-7-11(15)14-12(18-2)8-5-9-13(14)19-3/h5,8-9,11,15H,4,6-7,10H2,1-3H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-4-ethylsulfonylbutan-1-ol?
1-(2,6-dimethoxyphenyl)-4-ethylsulfonylbutan-1-ol has a molecular weight of 302.39 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-4-ethylsulfonylbutan-1-ol is sourced from PubChem (CID 115803647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).