3-[2-(1,1-dioxothietan-3-yl)ethoxy]phenol

C11H14O4S — CID 84703325

IUPAC3-[2-(1,1-dioxothietan-3-yl)ethoxy]phenol
SMILESO=S1(=O)CC(CCOc2cccc(O)c2)C1
InChIInChI=1S/C11H14O4S/c12-10-2-1-3-11(6-10)15-5-4-9-7-16(13,14)8-9/h1-3,6,9,12H,4-5,7-8H2
InChIKeyWLINKZLAAFMIEX-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.21
Rot. Bonds4

About 3-[2-(1,1-dioxothietan-3-yl)ethoxy]phenol

3-[2-(1,1-dioxothietan-3-yl)ethoxy]phenol (PubChem CID 84703325) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-[2-(1,1-dioxothietan-3-yl)ethoxy]phenol.

Molecular Properties

Compound Name3-[2-(1,1-dioxothietan-3-yl)ethoxy]phenol
PubChem CID84703325
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name3-[2-(1,1-dioxothietan-3-yl)ethoxy]phenol
SMILESO=S1(=O)CC(CCOc2cccc(O)c2)C1
InChIInChI=1S/C11H14O4S/c12-10-2-1-3-11(6-10)15-5-4-9-7-16(13,14)8-9/h1-3,6,9,12H,4-5,7-8H2
InChIKeyWLINKZLAAFMIEX-UHFFFAOYSA-N
XLogP1.21
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(oxan-4-yl)ethoxy]phenol
CID 59526880
3-(3-hydroxyphenoxy)propanal
CID 84765037
3-[2-(1,1-dioxothian-4-yl)-3-hydroxypropoxy]phenol
CID 117239292
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
3-(2-ethylsulfonylethoxy)phenol
CID 43808006
3-dodecoxyphenol
CID 15719132
3-[2-(methylamino)ethoxy]phenol
CID 83619980
3-(3-ethylsulfonylpropoxy)phenol
CID 65097968
3-[2-(2,6-dimethylphenoxy)ethoxy]phenol
CID 39359626
3-(3-pyrrolidin-1-ylpropoxy)phenol
CID 61494316
formic acid;3-hexoxyphenol
CID 174800460
ethyl 3-(3-hydroxyphenoxy)propanoate
CID 156769963

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,1-dioxothietan-3-yl)ethoxy]phenol?
The IUPAC name of 3-[2-(1,1-dioxothietan-3-yl)ethoxy]phenol (CID 84703325) is 3-[2-(1,1-dioxothietan-3-yl)ethoxy]phenol.
What is the SMILES notation for 3-[2-(1,1-dioxothietan-3-yl)ethoxy]phenol?
The canonical SMILES for 3-[2-(1,1-dioxothietan-3-yl)ethoxy]phenol is O=S1(=O)CC(CCOc2cccc(O)c2)C1.
What is the InChIKey of 3-[2-(1,1-dioxothietan-3-yl)ethoxy]phenol?
The InChIKey is WLINKZLAAFMIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c12-10-2-1-3-11(6-10)15-5-4-9-7-16(13,14)8-9/h1-3,6,9,12H,4-5,7-8H2.
What are the key properties of 3-[2-(1,1-dioxothietan-3-yl)ethoxy]phenol?
3-[2-(1,1-dioxothietan-3-yl)ethoxy]phenol has a molecular weight of 242.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,1-dioxothietan-3-yl)ethoxy]phenol is sourced from PubChem (CID 84703325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).