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

C13H20O5S — CID 106726179

IUPAC[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]methanol
SMILESCCCS(=O)(=O)CCOc1cc(OC)ccc1CO
InChIInChI=1S/C13H20O5S/c1-3-7-19(15,16)8-6-18-13-9-12(17-2)5-4-11(13)10-14/h4-5,9,14H,3,6-8,10H2,1-2H3
InChIKeyDPWGBOMJHFZMSI-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.39
Rot. Bonds8

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

[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]methanol (PubChem CID 106726179) has the molecular formula C13H20O5S and a molecular weight of 288.37 g/mol. Its IUPAC name is [4-methoxy-2-(2-propylsulfonylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]methanol
PubChem CID106726179
Molecular FormulaC13H20O5S
Molecular Weight288.37 g/mol
Exact Mass288.10
IUPAC Name[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]methanol
SMILESCCCS(=O)(=O)CCOc1cc(OC)ccc1CO
InChIInChI=1S/C13H20O5S/c1-3-7-19(15,16)8-6-18-13-9-12(17-2)5-4-11(13)10-14/h4-5,9,14H,3,6-8,10H2,1-2H3
InChIKeyDPWGBOMJHFZMSI-UHFFFAOYSA-N
XLogP1.39
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol
CID 106726141
1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanone
CID 106725008
(2-docosoxy-4-methoxyphenyl)methanol
CID 53257210
(1R)-1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106722435
(2-ethoxy-4-methoxyphenyl)methanol
CID 61267380
1-(bromomethyl)-4-propoxy-2-(2-propylsulfonylethoxy)benzene
CID 106726532
1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106728338
1-chloro-4-methoxy-2-(3-propylsulfonylpropoxy)benzene
CID 140981926
[5-methoxy-2-(2-methylsulfonylethoxy)phenyl]methanol
CID 60915794
3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 61269047
[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 54957551
N-[(2,4-dimethoxyphenyl)methyl]-2-propylsulfonylethanamine
CID 106723733

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-(2-propylsulfonylethoxy)phenyl]methanol?
The IUPAC name of [4-methoxy-2-(2-propylsulfonylethoxy)phenyl]methanol (CID 106726179) is [4-methoxy-2-(2-propylsulfonylethoxy)phenyl]methanol.
What is the SMILES notation for [4-methoxy-2-(2-propylsulfonylethoxy)phenyl]methanol?
The canonical SMILES for [4-methoxy-2-(2-propylsulfonylethoxy)phenyl]methanol is CCCS(=O)(=O)CCOc1cc(OC)ccc1CO.
What is the InChIKey of [4-methoxy-2-(2-propylsulfonylethoxy)phenyl]methanol?
The InChIKey is DPWGBOMJHFZMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O5S/c1-3-7-19(15,16)8-6-18-13-9-12(17-2)5-4-11(13)10-14/h4-5,9,14H,3,6-8,10H2,1-2H3.
What are the key properties of [4-methoxy-2-(2-propylsulfonylethoxy)phenyl]methanol?
[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]methanol has a molecular weight of 288.37 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-(2-propylsulfonylethoxy)phenyl]methanol is sourced from PubChem (CID 106726179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).