(2-chloro-6-thiomorpholin-4-ylphenyl)methanol

C11H14ClNOS — CID 43121109

IUPAC(2-chloro-6-thiomorpholin-4-ylphenyl)methanol
SMILESOCc1c(Cl)cccc1N1CCSCC1
InChIInChI=1S/C11H14ClNOS/c12-10-2-1-3-11(9(10)8-14)13-4-6-15-7-5-13/h1-3,14H,4-8H2
InChIKeyURQSWHWURYREQN-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.39
Rot. Bonds2

About (2-chloro-6-thiomorpholin-4-ylphenyl)methanol

(2-chloro-6-thiomorpholin-4-ylphenyl)methanol (PubChem CID 43121109) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is (2-chloro-6-thiomorpholin-4-ylphenyl)methanol.

Molecular Properties

Compound Name(2-chloro-6-thiomorpholin-4-ylphenyl)methanol
PubChem CID43121109
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name(2-chloro-6-thiomorpholin-4-ylphenyl)methanol
SMILESOCc1c(Cl)cccc1N1CCSCC1
InChIInChI=1S/C11H14ClNOS/c12-10-2-1-3-11(9(10)8-14)13-4-6-15-7-5-13/h1-3,14H,4-8H2
InChIKeyURQSWHWURYREQN-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-thiomorpholin-4-ylphenyl)methanol?
The IUPAC name of (2-chloro-6-thiomorpholin-4-ylphenyl)methanol (CID 43121109) is (2-chloro-6-thiomorpholin-4-ylphenyl)methanol.
What is the SMILES notation for (2-chloro-6-thiomorpholin-4-ylphenyl)methanol?
The canonical SMILES for (2-chloro-6-thiomorpholin-4-ylphenyl)methanol is OCc1c(Cl)cccc1N1CCSCC1.
What is the InChIKey of (2-chloro-6-thiomorpholin-4-ylphenyl)methanol?
The InChIKey is URQSWHWURYREQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c12-10-2-1-3-11(9(10)8-14)13-4-6-15-7-5-13/h1-3,14H,4-8H2.
What are the key properties of (2-chloro-6-thiomorpholin-4-ylphenyl)methanol?
(2-chloro-6-thiomorpholin-4-ylphenyl)methanol has a molecular weight of 243.76 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-thiomorpholin-4-ylphenyl)methanol is sourced from PubChem (CID 43121109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).