3-(2-ethylsulfonylethoxy)phenol

C10H14O4S — CID 43808006

IUPAC3-(2-ethylsulfonylethoxy)phenol
SMILESCCS(=O)(=O)CCOc1cccc(O)c1
InChIInChI=1S/C10H14O4S/c1-2-15(12,13)7-6-14-10-5-3-4-9(11)8-10/h3-5,8,11H,2,6-7H2,1H3
InChIKeyONDCMSJGAMFRPV-UHFFFAOYSA-N
MW230.28 g/mol
LogP1.21
Rot. Bonds5

About 3-(2-ethylsulfonylethoxy)phenol

3-(2-ethylsulfonylethoxy)phenol (PubChem CID 43808006) has the molecular formula C10H14O4S and a molecular weight of 230.28 g/mol. Its IUPAC name is 3-(2-ethylsulfonylethoxy)phenol.

Molecular Properties

Compound Name3-(2-ethylsulfonylethoxy)phenol
PubChem CID43808006
Molecular FormulaC10H14O4S
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name3-(2-ethylsulfonylethoxy)phenol
SMILESCCS(=O)(=O)CCOc1cccc(O)c1
InChIInChI=1S/C10H14O4S/c1-2-15(12,13)7-6-14-10-5-3-4-9(11)8-10/h3-5,8,11H,2,6-7H2,1H3
InChIKeyONDCMSJGAMFRPV-UHFFFAOYSA-N
XLogP1.21
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethylsulfonylpropoxy)phenol
CID 65097968
3-(2-ethylsulfonylethoxy)benzenecarbothioamide
CID 43807796
3-dodecoxyphenol
CID 15719132
formic acid;3-hexoxyphenol
CID 174800460
ethyl 3-(3-hydroxyphenoxy)propanoate
CID 156769963
3-[2-(methylamino)ethoxy]phenol
CID 83619980
3-(3-hydroxyphenoxy)propanal
CID 84765037
3-ethoxyphenol;iodoethane
CID 162028202
3-[2-(2,6-dimethylphenoxy)ethoxy]phenol
CID 39359626
3-(4-ethylhex-3-enoxy)phenol
CID 15329857
1-[2-(3-aminophenoxy)ethylsulfonyl]propan-2-one
CID 82182930
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfonylethoxy)phenol?
The IUPAC name of 3-(2-ethylsulfonylethoxy)phenol (CID 43808006) is 3-(2-ethylsulfonylethoxy)phenol.
What is the SMILES notation for 3-(2-ethylsulfonylethoxy)phenol?
The canonical SMILES for 3-(2-ethylsulfonylethoxy)phenol is CCS(=O)(=O)CCOc1cccc(O)c1.
What is the InChIKey of 3-(2-ethylsulfonylethoxy)phenol?
The InChIKey is ONDCMSJGAMFRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4S/c1-2-15(12,13)7-6-14-10-5-3-4-9(11)8-10/h3-5,8,11H,2,6-7H2,1H3.
What are the key properties of 3-(2-ethylsulfonylethoxy)phenol?
3-(2-ethylsulfonylethoxy)phenol has a molecular weight of 230.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfonylethoxy)phenol is sourced from PubChem (CID 43808006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).