3-(3-ethylsulfonylpropoxy)phenol

C11H16O4S — CID 65097968

IUPAC3-(3-ethylsulfonylpropoxy)phenol
SMILESCCS(=O)(=O)CCCOc1cccc(O)c1
InChIInChI=1S/C11H16O4S/c1-2-16(13,14)8-4-7-15-11-6-3-5-10(12)9-11/h3,5-6,9,12H,2,4,7-8H2,1H3
InChIKeySTZODMWFKRNPSR-UHFFFAOYSA-N
MW244.31 g/mol
LogP1.60
Rot. Bonds6

About 3-(3-ethylsulfonylpropoxy)phenol

3-(3-ethylsulfonylpropoxy)phenol (PubChem CID 65097968) has the molecular formula C11H16O4S and a molecular weight of 244.31 g/mol. Its IUPAC name is 3-(3-ethylsulfonylpropoxy)phenol.

Molecular Properties

Compound Name3-(3-ethylsulfonylpropoxy)phenol
PubChem CID65097968
Molecular FormulaC11H16O4S
Molecular Weight244.31 g/mol
Exact Mass244.08
IUPAC Name3-(3-ethylsulfonylpropoxy)phenol
SMILESCCS(=O)(=O)CCCOc1cccc(O)c1
InChIInChI=1S/C11H16O4S/c1-2-16(13,14)8-4-7-15-11-6-3-5-10(12)9-11/h3,5-6,9,12H,2,4,7-8H2,1H3
InChIKeySTZODMWFKRNPSR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethylsulfonylethoxy)phenol
CID 43808006
3-dodecoxyphenol
CID 15719132
3-(3-ethylsulfonylpropoxy)benzonitrile
CID 64691604
formic acid;3-hexoxyphenol
CID 174800460
1-[3-(3-ethylsulfonylpropoxy)phenyl]butan-2-amine
CID 65095474
3-(3-methoxy-3-methylbutoxy)phenol
CID 59527181
ethyl 3-(3-hydroxyphenoxy)propanoate
CID 156769963
3-(2-pentylsulfonylethoxy)benzoic acid
CID 107746545
3-[2-(methylamino)ethoxy]phenol
CID 83619980
3-(3-hydroxyphenoxy)propanal
CID 84765037
3-butoxybenzaldehyde;3-hydroxybenzaldehyde
CID 157058924
3-ethoxyphenol;iodoethane
CID 162028202

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfonylpropoxy)phenol?
The IUPAC name of 3-(3-ethylsulfonylpropoxy)phenol (CID 65097968) is 3-(3-ethylsulfonylpropoxy)phenol.
What is the SMILES notation for 3-(3-ethylsulfonylpropoxy)phenol?
The canonical SMILES for 3-(3-ethylsulfonylpropoxy)phenol is CCS(=O)(=O)CCCOc1cccc(O)c1.
What is the InChIKey of 3-(3-ethylsulfonylpropoxy)phenol?
The InChIKey is STZODMWFKRNPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4S/c1-2-16(13,14)8-4-7-15-11-6-3-5-10(12)9-11/h3,5-6,9,12H,2,4,7-8H2,1H3.
What are the key properties of 3-(3-ethylsulfonylpropoxy)phenol?
3-(3-ethylsulfonylpropoxy)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 3-(3-ethylsulfonylpropoxy)phenol is sourced from PubChem (CID 65097968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).