1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone

C15H22O3 — CID 63684932

IUPAC1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone
SMILESCCCOCCOCC(=O)c1ccc(CC)cc1
InChIInChI=1S/C15H22O3/c1-3-9-17-10-11-18-12-15(16)14-7-5-13(4-2)6-8-14/h5-8H,3-4,9-12H2,1-2H3
InChIKeySHJGJYFFMCBANL-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.87
Rot. Bonds9

About 1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone

1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone (PubChem CID 63684932) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone
PubChem CID63684932
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone
SMILESCCCOCCOCC(=O)c1ccc(CC)cc1
InChIInChI=1S/C15H22O3/c1-3-9-17-10-11-18-12-15(16)14-7-5-13(4-2)6-8-14/h5-8H,3-4,9-12H2,1-2H3
InChIKeySHJGJYFFMCBANL-UHFFFAOYSA-N
XLogP2.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-3-propoxypropan-1-one
CID 105085935
1-(4-ethylphenyl)-2-heptoxyethanone
CID 43800138
4-(2-propoxyacetyl)benzoic acid
CID 57076032
1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone
CID 43800835
2-but-3-enoxy-1-(4-ethylphenyl)ethanone
CID 62031033
1-(4-tert-butylphenyl)-2-propoxyethanone
CID 62548710
2-(2-butoxyethoxy)-1-phenylethanone
CID 43800199
3-ethoxy-1-(4-ethylphenyl)propan-1-one
CID 115601483
[2-(4-bromophenyl)-2-oxoethyl] 4-ethylbenzoate
CID 874966
1-(4-ethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
CID 62031543
1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanone
CID 159078637
1-(4-ethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 43800999

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone (CID 63684932) is 1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone is CCCOCCOCC(=O)c1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone?
The InChIKey is SHJGJYFFMCBANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-3-9-17-10-11-18-12-15(16)14-7-5-13(4-2)6-8-14/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone?
1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone has a molecular weight of 250.34 g/mol, XLogP of 2.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone is sourced from PubChem (CID 63684932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).