1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxy-4-methylphenoxy)ethanone

C15H21NO5 — CID 81197403

IUPAC1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxy-4-methylphenoxy)ethanone
SMILESCOc1cc(C)ccc1OCC(=O)N1CCOC(CO)C1
InChIInChI=1S/C15H21NO5/c1-11-3-4-13(14(7-11)19-2)21-10-15(18)16-5-6-20-12(8-16)9-17/h3-4,7,12,17H,5-6,8-10H2,1-2H3
InChIKeyLDWVEZMHKMSKON-UHFFFAOYSA-N
MW295.33 g/mol
LogP0.60
Rot. Bonds5

About 1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxy-4-methylphenoxy)ethanone

1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxy-4-methylphenoxy)ethanone (PubChem CID 81197403) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxy-4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxy-4-methylphenoxy)ethanone
PubChem CID81197403
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxy-4-methylphenoxy)ethanone
SMILESCOc1cc(C)ccc1OCC(=O)N1CCOC(CO)C1
InChIInChI=1S/C15H21NO5/c1-11-3-4-13(14(7-11)19-2)21-10-15(18)16-5-6-20-12(8-16)9-17/h3-4,7,12,17H,5-6,8-10H2,1-2H3
InChIKeyLDWVEZMHKMSKON-UHFFFAOYSA-N
XLogP0.60
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxy-4-methylphenoxy)ethanone 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

2-(2-methoxy-4-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone
CID 78765268
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-methoxy-4-methylphenoxy)ethanone
CID 124588581
1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 81196889
2-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 124575488
[(2R)-2-[(2-methoxy-4-methylphenoxy)methyl]morpholin-4-yl]-(2-methylphenyl)methanone
CID 93336839
1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-4-carboxylic acid
CID 45427087
1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-propan-2-ylphenoxy)ethanone
CID 81196263
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone
CID 81208943
3-(3-bromo-4-methoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81196735
ethyl (3R)-1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-3-carboxylate
CID 94014623
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one
CID 81208849

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxy-4-methylphenoxy)ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxy-4-methylphenoxy)ethanone (CID 81197403) is 1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxy-4-methylphenoxy)ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxy-4-methylphenoxy)ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxy-4-methylphenoxy)ethanone is COc1cc(C)ccc1OCC(=O)N1CCOC(CO)C1.
What is the InChIKey of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxy-4-methylphenoxy)ethanone?
The InChIKey is LDWVEZMHKMSKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-11-3-4-13(14(7-11)19-2)21-10-15(18)16-5-6-20-12(8-16)9-17/h3-4,7,12,17H,5-6,8-10H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxy-4-methylphenoxy)ethanone?
1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxy-4-methylphenoxy)ethanone has a molecular weight of 295.33 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxy-4-methylphenoxy)ethanone is sourced from PubChem (CID 81197403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).