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

C11H14ClNOS — CID 24851002

IUPAC4-chloro-2-(thiomorpholin-4-ylmethyl)phenol
SMILESOc1ccc(Cl)cc1CN1CCSCC1
InChIInChI=1S/C11H14ClNOS/c12-10-1-2-11(14)9(7-10)8-13-3-5-15-6-4-13/h1-2,7,14H,3-6,8H2
InChIKeyUQMUMNHHVWCVRR-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.59
Rot. Bonds2

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

4-chloro-2-(thiomorpholin-4-ylmethyl)phenol (PubChem CID 24851002) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 4-chloro-2-(thiomorpholin-4-ylmethyl)phenol.

Molecular Properties

Compound Name4-chloro-2-(thiomorpholin-4-ylmethyl)phenol
PubChem CID24851002
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name4-chloro-2-(thiomorpholin-4-ylmethyl)phenol
SMILESOc1ccc(Cl)cc1CN1CCSCC1
InChIInChI=1S/C11H14ClNOS/c12-10-1-2-11(14)9(7-10)8-13-3-5-15-6-4-13/h1-2,7,14H,3-6,8H2
InChIKeyUQMUMNHHVWCVRR-UHFFFAOYSA-N
XLogP2.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(thiomorpholin-4-ylmethyl)phenol?
The IUPAC name of 4-chloro-2-(thiomorpholin-4-ylmethyl)phenol (CID 24851002) is 4-chloro-2-(thiomorpholin-4-ylmethyl)phenol.
What is the SMILES notation for 4-chloro-2-(thiomorpholin-4-ylmethyl)phenol?
The canonical SMILES for 4-chloro-2-(thiomorpholin-4-ylmethyl)phenol is Oc1ccc(Cl)cc1CN1CCSCC1.
What is the InChIKey of 4-chloro-2-(thiomorpholin-4-ylmethyl)phenol?
The InChIKey is UQMUMNHHVWCVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c12-10-1-2-11(14)9(7-10)8-13-3-5-15-6-4-13/h1-2,7,14H,3-6,8H2.
What are the key properties of 4-chloro-2-(thiomorpholin-4-ylmethyl)phenol?
4-chloro-2-(thiomorpholin-4-ylmethyl)phenol has a molecular weight of 243.76 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(thiomorpholin-4-ylmethyl)phenol is sourced from PubChem (CID 24851002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).