6-(2-hydroxyethyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one

C14H19NO3 — CID 115067682

IUPAC6-(2-hydroxyethyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one
SMILESCc1ccc(N2CC(C)(CCO)OCC2=O)cc1
InChIInChI=1S/C14H19NO3/c1-11-3-5-12(6-4-11)15-10-14(2,7-8-16)18-9-13(15)17/h3-6,16H,7-10H2,1-2H3
InChIKeyBSEVHTAWKBOBKR-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.50
Rot. Bonds3

About 6-(2-hydroxyethyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one

6-(2-hydroxyethyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one (PubChem CID 115067682) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one
PubChem CID115067682
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name6-(2-hydroxyethyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one
SMILESCc1ccc(N2CC(C)(CCO)OCC2=O)cc1
InChIInChI=1S/C14H19NO3/c1-11-3-5-12(6-4-11)15-10-14(2,7-8-16)18-9-13(15)17/h3-6,16H,7-10H2,1-2H3
InChIKeyBSEVHTAWKBOBKR-UHFFFAOYSA-N
XLogP1.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one?
The IUPAC name of 6-(2-hydroxyethyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one (CID 115067682) is 6-(2-hydroxyethyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one.
What is the SMILES notation for 6-(2-hydroxyethyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one?
The canonical SMILES for 6-(2-hydroxyethyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one is Cc1ccc(N2CC(C)(CCO)OCC2=O)cc1.
What is the InChIKey of 6-(2-hydroxyethyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one?
The InChIKey is BSEVHTAWKBOBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11-3-5-12(6-4-11)15-10-14(2,7-8-16)18-9-13(15)17/h3-6,16H,7-10H2,1-2H3.
What are the key properties of 6-(2-hydroxyethyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one?
6-(2-hydroxyethyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one has a molecular weight of 249.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one is sourced from PubChem (CID 115067682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).