(5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one

C12H15NO3 — CID 166471827

IUPAC(5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one
SMILESCOc1ccc(C[C@H]2COCC(=O)N2)cc1
InChIInChI=1S/C12H15NO3/c1-15-11-4-2-9(3-5-11)6-10-7-16-8-12(14)13-10/h2-5,10H,6-8H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyBKGWUIPRQDBKPY-JTQLQIEISA-N
MW221.26 g/mol
LogP0.75
Rot. Bonds3

About (5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one

(5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one (PubChem CID 166471827) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one.

Molecular Properties

Compound Name(5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one
PubChem CID166471827
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one
SMILESCOc1ccc(C[C@H]2COCC(=O)N2)cc1
InChIInChI=1S/C12H15NO3/c1-15-11-4-2-9(3-5-11)6-10-7-16-8-12(14)13-10/h2-5,10H,6-8H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyBKGWUIPRQDBKPY-JTQLQIEISA-N
XLogP0.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 10398104
(5R)-5-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-3-one
CID 118117606
2-[(4-methoxyphenyl)methyl]azetidine
CID 71756117
4-[(4-methoxyphenyl)methyl]oxan-3-one
CID 66825112
5-[[4-[4-[(2-oxo-3,6-dihydro-1H-indol-5-ylidene)methyl]phenoxy]phenyl]methyl]morpholin-3-one
CID 69246241
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
5-[(3-pyrrol-1-ylphenyl)methyl]morpholin-3-one
CID 118117781
(3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
CID 92849982
(5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one
CID 129394807
(6R)-6-[(4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-one
CID 102215285
(4S)-4-[2-(4-methoxyphenyl)ethyl]-1,3-oxazolidin-2-one
CID 10933011

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one?
The IUPAC name of (5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one (CID 166471827) is (5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one.
What is the SMILES notation for (5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one?
The canonical SMILES for (5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one is COc1ccc(C[C@H]2COCC(=O)N2)cc1.
What is the InChIKey of (5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one?
The InChIKey is BKGWUIPRQDBKPY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15NO3/c1-15-11-4-2-9(3-5-11)6-10-7-16-8-12(14)13-10/h2-5,10H,6-8H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one?
(5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one has a molecular weight of 221.26 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one is sourced from PubChem (CID 166471827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).