1-(4-methoxy-2-methylphenyl)-2-propoxyethanone

C13H18O3 — CID 65313550

IUPAC1-(4-methoxy-2-methylphenyl)-2-propoxyethanone
SMILESCCCOCC(=O)c1ccc(OC)cc1C
InChIInChI=1S/C13H18O3/c1-4-7-16-9-13(14)12-6-5-11(15-3)8-10(12)2/h5-6,8H,4,7,9H2,1-3H3
InChIKeyODQIQJJPNUSBOI-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.61
Rot. Bonds6

About 1-(4-methoxy-2-methylphenyl)-2-propoxyethanone

1-(4-methoxy-2-methylphenyl)-2-propoxyethanone (PubChem CID 65313550) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-2-propoxyethanone.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-2-propoxyethanone
PubChem CID65313550
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name1-(4-methoxy-2-methylphenyl)-2-propoxyethanone
SMILESCCCOCC(=O)c1ccc(OC)cc1C
InChIInChI=1S/C13H18O3/c1-4-7-16-9-13(14)12-6-5-11(15-3)8-10(12)2/h5-6,8H,4,7,9H2,1-3H3
InChIKeyODQIQJJPNUSBOI-UHFFFAOYSA-N
XLogP2.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-methoxy-2-methylphenyl)-2-propoxyethanone 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-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 105084772
1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone
CID 103432888
N-(4-methoxy-2-methylphenyl)-2-propoxyacetamide
CID 113230378
1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 65313814
5-bromo-1-(4-methoxy-2-methylphenyl)pentan-1-one
CID 146007236
N-(5-methoxy-2-methylphenyl)-2-propoxyacetamide
CID 113256572
1-(5-fluoro-2-methylphenyl)-2-propoxyethanone
CID 62791964
2-methoxy-1-(5-methoxy-2-methylphenyl)ethanone
CID 19880580
1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one
CID 65313346
2-azido-1-(4-methoxy-2-methylphenyl)ethanone
CID 98883097
4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
CID 102177256
2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone
CID 43800169

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-2-propoxyethanone?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-2-propoxyethanone (CID 65313550) is 1-(4-methoxy-2-methylphenyl)-2-propoxyethanone.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-2-propoxyethanone?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-2-propoxyethanone is CCCOCC(=O)c1ccc(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-2-propoxyethanone?
The InChIKey is ODQIQJJPNUSBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-7-16-9-13(14)12-6-5-11(15-3)8-10(12)2/h5-6,8H,4,7,9H2,1-3H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-2-propoxyethanone?
1-(4-methoxy-2-methylphenyl)-2-propoxyethanone has a molecular weight of 222.28 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-2-propoxyethanone is sourced from PubChem (CID 65313550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).