3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one

C14H19NO3 — CID 60635766

IUPAC3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one
SMILESCc1cccc(OCCC(=O)N2CCOCC2)c1
InChIInChI=1S/C14H19NO3/c1-12-3-2-4-13(11-12)18-8-5-14(16)15-6-9-17-10-7-15/h2-4,11H,5-10H2,1H3
InChIKeyQRBUWKDKPKAZJZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.62
Rot. Bonds4

About 3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one

3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one (PubChem CID 60635766) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one
PubChem CID60635766
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one
SMILESCc1cccc(OCCC(=O)N2CCOCC2)c1
InChIInChI=1S/C14H19NO3/c1-12-3-2-4-13(11-12)18-8-5-14(16)15-6-9-17-10-7-15/h2-4,11H,5-10H2,1H3
InChIKeyQRBUWKDKPKAZJZ-UHFFFAOYSA-N
XLogP1.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-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

3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402035
1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one
CID 24708517
1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one
CID 81208849
1-[4-(bromomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 80678009
(3S)-4-[3-(3-methylphenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513528
1-[4-[2-(4-hydroxyphenoxy)acetyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 4739992
1-[3-(methylamino)pyrrolidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 81466275
4-methyl-1-[3-(3-methylphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63720461
3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 65418099
1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110818367
1-(4-benzylsulfonylpiperazin-1-yl)-3-(3-methylphenoxy)propan-1-one
CID 9298614
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one (CID 60635766) is 3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one is Cc1cccc(OCCC(=O)N2CCOCC2)c1.
What is the InChIKey of 3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one?
The InChIKey is QRBUWKDKPKAZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-12-3-2-4-13(11-12)18-8-5-14(16)15-6-9-17-10-7-15/h2-4,11H,5-10H2,1H3.
What are the key properties of 3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one?
3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one has a molecular weight of 249.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 60635766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).