[4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol

C15H24O5S — CID 106726141

IUPAC[4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol
SMILESCCCOc1ccc(CO)c(OCCS(=O)(=O)CCC)c1
InChIInChI=1S/C15H24O5S/c1-3-7-19-14-6-5-13(12-16)15(11-14)20-8-10-21(17,18)9-4-2/h5-6,11,16H,3-4,7-10,12H2,1-2H3
InChIKeyFYQRPOLEZNIFHU-UHFFFAOYSA-N
MW316.42 g/mol
LogP2.17
Rot. Bonds10

About [4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol

[4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol (PubChem CID 106726141) has the molecular formula C15H24O5S and a molecular weight of 316.42 g/mol. Its IUPAC name is [4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol
PubChem CID106726141
Molecular FormulaC15H24O5S
Molecular Weight316.42 g/mol
Exact Mass316.13
IUPAC Name[4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol
SMILESCCCOc1ccc(CO)c(OCCS(=O)(=O)CCC)c1
InChIInChI=1S/C15H24O5S/c1-3-7-19-14-6-5-13(12-16)15(11-14)20-8-10-21(17,18)9-4-2/h5-6,11,16H,3-4,7-10,12H2,1-2H3
InChIKeyFYQRPOLEZNIFHU-UHFFFAOYSA-N
XLogP2.17
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]methanol
CID 106726179
1-(bromomethyl)-4-propoxy-2-(2-propylsulfonylethoxy)benzene
CID 106726532
1-(chloromethyl)-2-(2-methylsulfonylethoxy)-4-propoxybenzene
CID 61057924
(2,4-dipentoxyphenyl)methanol
CID 54794877
2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-methylacetamide
CID 43472225
[2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine
CID 60915924
[2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol
CID 106453700
[4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol
CID 61494348
1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanone
CID 106725008
2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol
CID 23651183
(2-cyclopentyloxy-4-propoxyphenyl)methanol
CID 43472228
[2-[2-(oxolan-2-yl)ethoxy]-4-propoxyphenyl]methanol
CID 65163131

Frequently Asked Questions

What is the IUPAC name of [4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol?
The IUPAC name of [4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol (CID 106726141) is [4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol.
What is the SMILES notation for [4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol?
The canonical SMILES for [4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol is CCCOc1ccc(CO)c(OCCS(=O)(=O)CCC)c1.
What is the InChIKey of [4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol?
The InChIKey is FYQRPOLEZNIFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5S/c1-3-7-19-14-6-5-13(12-16)15(11-14)20-8-10-21(17,18)9-4-2/h5-6,11,16H,3-4,7-10,12H2,1-2H3.
What are the key properties of [4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol?
[4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol has a molecular weight of 316.42 g/mol, XLogP of 2.17, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol is sourced from PubChem (CID 106726141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).