4-(2-chlorophenyl)-5-(2-hydroxyethyl)morpholin-3-one

C12H14ClNO3 — CID 117009643

IUPAC4-(2-chlorophenyl)-5-(2-hydroxyethyl)morpholin-3-one
SMILESO=C1COCC(CCO)N1c1ccccc1Cl
InChIInChI=1S/C12H14ClNO3/c13-10-3-1-2-4-11(10)14-9(5-6-15)7-17-8-12(14)16/h1-4,9,15H,5-8H2
InChIKeyIBPBYBYXLJCESV-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.45
Rot. Bonds3

About 4-(2-chlorophenyl)-5-(2-hydroxyethyl)morpholin-3-one

4-(2-chlorophenyl)-5-(2-hydroxyethyl)morpholin-3-one (PubChem CID 117009643) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-(2-hydroxyethyl)morpholin-3-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-(2-hydroxyethyl)morpholin-3-one
PubChem CID117009643
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name4-(2-chlorophenyl)-5-(2-hydroxyethyl)morpholin-3-one
SMILESO=C1COCC(CCO)N1c1ccccc1Cl
InChIInChI=1S/C12H14ClNO3/c13-10-3-1-2-4-11(10)14-9(5-6-15)7-17-8-12(14)16/h1-4,9,15H,5-8H2
InChIKeyIBPBYBYXLJCESV-UHFFFAOYSA-N
XLogP1.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-(2-hydroxyethyl)morpholin-3-one?
The IUPAC name of 4-(2-chlorophenyl)-5-(2-hydroxyethyl)morpholin-3-one (CID 117009643) is 4-(2-chlorophenyl)-5-(2-hydroxyethyl)morpholin-3-one.
What is the SMILES notation for 4-(2-chlorophenyl)-5-(2-hydroxyethyl)morpholin-3-one?
The canonical SMILES for 4-(2-chlorophenyl)-5-(2-hydroxyethyl)morpholin-3-one is O=C1COCC(CCO)N1c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-5-(2-hydroxyethyl)morpholin-3-one?
The InChIKey is IBPBYBYXLJCESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-10-3-1-2-4-11(10)14-9(5-6-15)7-17-8-12(14)16/h1-4,9,15H,5-8H2.
What are the key properties of 4-(2-chlorophenyl)-5-(2-hydroxyethyl)morpholin-3-one?
4-(2-chlorophenyl)-5-(2-hydroxyethyl)morpholin-3-one has a molecular weight of 255.70 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-(2-hydroxyethyl)morpholin-3-one is sourced from PubChem (CID 117009643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).