2-ethoxy-4-(thiomorpholin-4-ylmethyl)phenol

C13H19NO2S — CID 750738

IUPAC2-ethoxy-4-(thiomorpholin-4-ylmethyl)phenol
SMILESCCOc1cc(CN2CCSCC2)ccc1O
InChIInChI=1S/C13H19NO2S/c1-2-16-13-9-11(3-4-12(13)15)10-14-5-7-17-8-6-14/h3-4,9,15H,2,5-8,10H2,1H3
InChIKeyGSENLDURLPGTGT-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.34
Rot. Bonds4

About 2-ethoxy-4-(thiomorpholin-4-ylmethyl)phenol

2-ethoxy-4-(thiomorpholin-4-ylmethyl)phenol (PubChem CID 750738) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-ethoxy-4-(thiomorpholin-4-ylmethyl)phenol.

Molecular Properties

Compound Name2-ethoxy-4-(thiomorpholin-4-ylmethyl)phenol
PubChem CID750738
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-ethoxy-4-(thiomorpholin-4-ylmethyl)phenol
SMILESCCOc1cc(CN2CCSCC2)ccc1O
InChIInChI=1S/C13H19NO2S/c1-2-16-13-9-11(3-4-12(13)15)10-14-5-7-17-8-6-14/h3-4,9,15H,2,5-8,10H2,1H3
InChIKeyGSENLDURLPGTGT-UHFFFAOYSA-N
XLogP2.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(thiomorpholin-4-ylmethyl)phenol?
The IUPAC name of 2-ethoxy-4-(thiomorpholin-4-ylmethyl)phenol (CID 750738) is 2-ethoxy-4-(thiomorpholin-4-ylmethyl)phenol.
What is the SMILES notation for 2-ethoxy-4-(thiomorpholin-4-ylmethyl)phenol?
The canonical SMILES for 2-ethoxy-4-(thiomorpholin-4-ylmethyl)phenol is CCOc1cc(CN2CCSCC2)ccc1O.
What is the InChIKey of 2-ethoxy-4-(thiomorpholin-4-ylmethyl)phenol?
The InChIKey is GSENLDURLPGTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-16-13-9-11(3-4-12(13)15)10-14-5-7-17-8-6-14/h3-4,9,15H,2,5-8,10H2,1H3.
What are the key properties of 2-ethoxy-4-(thiomorpholin-4-ylmethyl)phenol?
2-ethoxy-4-(thiomorpholin-4-ylmethyl)phenol has a molecular weight of 253.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(thiomorpholin-4-ylmethyl)phenol is sourced from PubChem (CID 750738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).