4-ethoxy-1-(4-ethylphenyl)butan-1-one

C14H20O2 — CID 105085940

IUPAC4-ethoxy-1-(4-ethylphenyl)butan-1-one
SMILESCCOCCCC(=O)c1ccc(CC)cc1
InChIInChI=1S/C14H20O2/c1-3-12-7-9-13(10-8-12)14(15)6-5-11-16-4-2/h7-10H,3-6,11H2,1-2H3
InChIKeyXIPMALOSGNHTFT-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.25
Rot. Bonds7

About 4-ethoxy-1-(4-ethylphenyl)butan-1-one

4-ethoxy-1-(4-ethylphenyl)butan-1-one (PubChem CID 105085940) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-ethoxy-1-(4-ethylphenyl)butan-1-one.

Molecular Properties

Compound Name4-ethoxy-1-(4-ethylphenyl)butan-1-one
PubChem CID105085940
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name4-ethoxy-1-(4-ethylphenyl)butan-1-one
SMILESCCOCCCC(=O)c1ccc(CC)cc1
InChIInChI=1S/C14H20O2/c1-3-12-7-9-13(10-8-12)14(15)6-5-11-16-4-2/h7-10H,3-6,11H2,1-2H3
InChIKeyXIPMALOSGNHTFT-UHFFFAOYSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.25
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

3-ethoxy-1-(4-ethylphenyl)propan-1-one
CID 115601483
4-ethoxy-1-(4-ethoxyphenyl)butan-1-one
CID 105093941
4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 105097430
1-(4-ethylphenyl)-3-propoxypropan-1-one
CID 105085935
5-bromo-1-(4-ethylphenyl)pentan-1-one
CID 146006591
1-(3,5-dimethylphenyl)-4-ethoxybutan-1-one
CID 105080881
1-(4-ethylphenyl)-2-heptoxyethanone
CID 43800138
6-[4-(4-ethylphenyl)phenyl]-6-oxohexanoic acid
CID 23503105
1-(4-chlorophenyl)-3-ethoxypropan-1-one
CID 115601476
1-(4-ethylphenyl)-4,4-dimethylpentan-1-one
CID 62621696
1-(4-ethylphenyl)-3-phenoxypropan-1-one
CID 62545024
4-ethoxy-1-(furan-2-yl)butan-1-one
CID 105099293

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(4-ethylphenyl)butan-1-one?
The IUPAC name of 4-ethoxy-1-(4-ethylphenyl)butan-1-one (CID 105085940) is 4-ethoxy-1-(4-ethylphenyl)butan-1-one.
What is the SMILES notation for 4-ethoxy-1-(4-ethylphenyl)butan-1-one?
The canonical SMILES for 4-ethoxy-1-(4-ethylphenyl)butan-1-one is CCOCCCC(=O)c1ccc(CC)cc1.
What is the InChIKey of 4-ethoxy-1-(4-ethylphenyl)butan-1-one?
The InChIKey is XIPMALOSGNHTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-12-7-9-13(10-8-12)14(15)6-5-11-16-4-2/h7-10H,3-6,11H2,1-2H3.
What are the key properties of 4-ethoxy-1-(4-ethylphenyl)butan-1-one?
4-ethoxy-1-(4-ethylphenyl)butan-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(4-ethylphenyl)butan-1-one is sourced from PubChem (CID 105085940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).