2-[3-(benzenesulfinyl)phenoxy]ethanol;pyrrolidine

C18H23NO3S — CID 143667234

IUPAC2-[3-(benzenesulfinyl)phenoxy]ethanol;pyrrolidine
SMILESC1CCNC1.O=S(c1ccccc1)c1cccc(OCCO)c1
InChIInChI=1S/C14H14O3S.C4H9N/c15-9-10-17-12-5-4-8-14(11-12)18(16)13-6-2-1-3-7-13;1-2-4-5-3-1/h1-8,11,15H,9-10H2;5H,1-4H2
InChIKeyUGWFSZJSYHUULA-UHFFFAOYSA-N
MW333.45 g/mol
LogP2.59
Rot. Bonds5

About 2-[3-(benzenesulfinyl)phenoxy]ethanol;pyrrolidine

2-[3-(benzenesulfinyl)phenoxy]ethanol;pyrrolidine (PubChem CID 143667234) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 2-[3-(benzenesulfinyl)phenoxy]ethanol;pyrrolidine.

Molecular Properties

Compound Name2-[3-(benzenesulfinyl)phenoxy]ethanol;pyrrolidine
PubChem CID143667234
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name2-[3-(benzenesulfinyl)phenoxy]ethanol;pyrrolidine
SMILESC1CCNC1.O=S(c1ccccc1)c1cccc(OCCO)c1
InChIInChI=1S/C14H14O3S.C4H9N/c15-9-10-17-12-5-4-8-14(11-12)18(16)13-6-2-1-3-7-13;1-2-4-5-3-1/h1-8,11,15H,9-10H2;5H,1-4H2
InChIKeyUGWFSZJSYHUULA-UHFFFAOYSA-N
XLogP2.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfinyl)phenoxy]ethanol;pyrrolidine?
The IUPAC name of 2-[3-(benzenesulfinyl)phenoxy]ethanol;pyrrolidine (CID 143667234) is 2-[3-(benzenesulfinyl)phenoxy]ethanol;pyrrolidine.
What is the SMILES notation for 2-[3-(benzenesulfinyl)phenoxy]ethanol;pyrrolidine?
The canonical SMILES for 2-[3-(benzenesulfinyl)phenoxy]ethanol;pyrrolidine is C1CCNC1.O=S(c1ccccc1)c1cccc(OCCO)c1.
What is the InChIKey of 2-[3-(benzenesulfinyl)phenoxy]ethanol;pyrrolidine?
The InChIKey is UGWFSZJSYHUULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S.C4H9N/c15-9-10-17-12-5-4-8-14(11-12)18(16)13-6-2-1-3-7-13;1-2-4-5-3-1/h1-8,11,15H,9-10H2;5H,1-4H2.
What are the key properties of 2-[3-(benzenesulfinyl)phenoxy]ethanol;pyrrolidine?
2-[3-(benzenesulfinyl)phenoxy]ethanol;pyrrolidine has a molecular weight of 333.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfinyl)phenoxy]ethanol;pyrrolidine is sourced from PubChem (CID 143667234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).