3-ethoxy-1-(4-ethylphenyl)propan-1-one

C13H18O2 — CID 115601483

IUPAC3-ethoxy-1-(4-ethylphenyl)propan-1-one
SMILESCCOCCC(=O)c1ccc(CC)cc1
InChIInChI=1S/C13H18O2/c1-3-11-5-7-12(8-6-11)13(14)9-10-15-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyAJALGXOSCRYCPL-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.86
Rot. Bonds6

About 3-ethoxy-1-(4-ethylphenyl)propan-1-one

3-ethoxy-1-(4-ethylphenyl)propan-1-one (PubChem CID 115601483) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-ethoxy-1-(4-ethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-ethoxy-1-(4-ethylphenyl)propan-1-one
PubChem CID115601483
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name3-ethoxy-1-(4-ethylphenyl)propan-1-one
SMILESCCOCCC(=O)c1ccc(CC)cc1
InChIInChI=1S/C13H18O2/c1-3-11-5-7-12(8-6-11)13(14)9-10-15-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyAJALGXOSCRYCPL-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-1-(4-ethylphenyl)butan-1-one
CID 105085940
1-(4-ethylphenyl)-3-propoxypropan-1-one
CID 105085935
1-(4-chlorophenyl)-3-ethoxypropan-1-one
CID 115601476
3-ethoxy-1-pyridin-4-ylpropan-1-one
CID 114997236
3-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 105096969
3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 105097425
1-(4-ethylphenyl)-3-phenoxypropan-1-one
CID 62545024
1-(3,4-dimethylphenyl)-3-ethoxypropan-1-one
CID 105093547
1-(4-ethylphenyl)-4,4-dimethylpentan-1-one
CID 62621696
3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-one
CID 105098804
3-diethoxyphosphoryl-1-(4-ethylphenyl)propan-1-one
CID 15273785
5-bromo-1-(4-ethylphenyl)pentan-1-one
CID 146006591

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(4-ethylphenyl)propan-1-one?
The IUPAC name of 3-ethoxy-1-(4-ethylphenyl)propan-1-one (CID 115601483) is 3-ethoxy-1-(4-ethylphenyl)propan-1-one.
What is the SMILES notation for 3-ethoxy-1-(4-ethylphenyl)propan-1-one?
The canonical SMILES for 3-ethoxy-1-(4-ethylphenyl)propan-1-one is CCOCCC(=O)c1ccc(CC)cc1.
What is the InChIKey of 3-ethoxy-1-(4-ethylphenyl)propan-1-one?
The InChIKey is AJALGXOSCRYCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-11-5-7-12(8-6-11)13(14)9-10-15-4-2/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 3-ethoxy-1-(4-ethylphenyl)propan-1-one?
3-ethoxy-1-(4-ethylphenyl)propan-1-one has a molecular weight of 206.28 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(4-ethylphenyl)propan-1-one is sourced from PubChem (CID 115601483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).