2-(2-propylsulfonylethoxy)phenol

C11H16O4S — CID 106726690

IUPAC2-(2-propylsulfonylethoxy)phenol
SMILESCCCS(=O)(=O)CCOc1ccccc1O
InChIInChI=1S/C11H16O4S/c1-2-8-16(13,14)9-7-15-11-6-4-3-5-10(11)12/h3-6,12H,2,7-9H2,1H3
InChIKeyDMMGOWGQVWCLJS-UHFFFAOYSA-N
MW244.31 g/mol
LogP1.60
Rot. Bonds6

About 2-(2-propylsulfonylethoxy)phenol

2-(2-propylsulfonylethoxy)phenol (PubChem CID 106726690) has the molecular formula C11H16O4S and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-(2-propylsulfonylethoxy)phenol.

Molecular Properties

Compound Name2-(2-propylsulfonylethoxy)phenol
PubChem CID106726690
Molecular FormulaC11H16O4S
Molecular Weight244.31 g/mol
Exact Mass244.08
IUPAC Name2-(2-propylsulfonylethoxy)phenol
SMILESCCCS(=O)(=O)CCOc1ccccc1O
InChIInChI=1S/C11H16O4S/c1-2-8-16(13,14)9-7-15-11-6-4-3-5-10(11)12/h3-6,12H,2,7-9H2,1H3
InChIKeyDMMGOWGQVWCLJS-UHFFFAOYSA-N
XLogP1.60
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-2-(2-propylsulfonylethoxy)benzene
CID 106732626
1-(2-propylsulfonylethoxy)naphthalene
CID 106732634
1-propan-2-yl-2-(2-propylsulfonylethoxy)benzene
CID 106732629
1-[2-(2-propylsulfonylethoxy)phenyl]propan-1-amine
CID 106721929
2-bromo-3-(2-propylsulfonylethoxy)aniline
CID 106721733
2-tridecoxyphenol
CID 67178320
benzene-1,2-diol;2-hexoxyphenol
CID 70150520
cobalt;bis(2-decoxyphenol);dihydrate
CID 70521593
3-methoxy-2-(2-propylsulfonylethoxy)benzoic acid
CID 106721769
[5-fluoro-2-(2-propylsulfonylethoxy)phenyl]methanamine
CID 107694959
5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide
CID 106726866
potassium [2-(2-ethylsulfonylethoxy)phenyl]-trifluoroboranuide
CID 106726730

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylsulfonylethoxy)phenol?
The IUPAC name of 2-(2-propylsulfonylethoxy)phenol (CID 106726690) is 2-(2-propylsulfonylethoxy)phenol.
What is the SMILES notation for 2-(2-propylsulfonylethoxy)phenol?
The canonical SMILES for 2-(2-propylsulfonylethoxy)phenol is CCCS(=O)(=O)CCOc1ccccc1O.
What is the InChIKey of 2-(2-propylsulfonylethoxy)phenol?
The InChIKey is DMMGOWGQVWCLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4S/c1-2-8-16(13,14)9-7-15-11-6-4-3-5-10(11)12/h3-6,12H,2,7-9H2,1H3.
What are the key properties of 2-(2-propylsulfonylethoxy)phenol?
2-(2-propylsulfonylethoxy)phenol has a molecular weight of 244.31 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylsulfonylethoxy)phenol is sourced from PubChem (CID 106726690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).