1-(4-ethylphenyl)-3-propoxypropan-1-one

C14H20O2 — CID 105085935

IUPAC1-(4-ethylphenyl)-3-propoxypropan-1-one
SMILESCCCOCCC(=O)c1ccc(CC)cc1
InChIInChI=1S/C14H20O2/c1-3-10-16-11-9-14(15)13-7-5-12(4-2)6-8-13/h5-8H,3-4,9-11H2,1-2H3
InChIKeyVNRHMKQSVQDZBT-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.25
Rot. Bonds7

About 1-(4-ethylphenyl)-3-propoxypropan-1-one

1-(4-ethylphenyl)-3-propoxypropan-1-one (PubChem CID 105085935) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-propoxypropan-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-propoxypropan-1-one
PubChem CID105085935
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(4-ethylphenyl)-3-propoxypropan-1-one
SMILESCCCOCCC(=O)c1ccc(CC)cc1
InChIInChI=1S/C14H20O2/c1-3-10-16-11-9-14(15)13-7-5-12(4-2)6-8-13/h5-8H,3-4,9-11H2,1-2H3
InChIKeyVNRHMKQSVQDZBT-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
1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone
CID 63684932
4-ethoxy-1-(4-ethylphenyl)butan-1-one
CID 105085940
1-(4-ethylphenyl)-3-phenoxypropan-1-one
CID 62545024
3-butoxy-1-(4-methoxyphenyl)propan-1-one
CID 115002247
1-(furan-3-yl)-3-propoxypropan-1-one
CID 105099129
3-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 105096969
1-(4-ethylphenyl)-4,4-dimethylpentan-1-one
CID 62621696
1-(4-ethylphenyl)-2-heptoxyethanone
CID 43800138
1-(4-ethylphenyl)hexane-1,3-dione
CID 61393286
5-bromo-1-(4-ethylphenyl)pentan-1-one
CID 146006591
1-(4-chlorophenyl)-3-ethoxypropan-1-one
CID 115601476

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-propoxypropan-1-one?
The IUPAC name of 1-(4-ethylphenyl)-3-propoxypropan-1-one (CID 105085935) is 1-(4-ethylphenyl)-3-propoxypropan-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-3-propoxypropan-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-3-propoxypropan-1-one is CCCOCCC(=O)c1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-propoxypropan-1-one?
The InChIKey is VNRHMKQSVQDZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-10-16-11-9-14(15)13-7-5-12(4-2)6-8-13/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-3-propoxypropan-1-one?
1-(4-ethylphenyl)-3-propoxypropan-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 1-(4-ethylphenyl)-3-propoxypropan-1-one is sourced from PubChem (CID 105085935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).