2-(1-ethoxyethoxy)-1-phenylpropan-1-one

C13H18O3 — CID 13311945

IUPAC2-(1-ethoxyethoxy)-1-phenylpropan-1-one
SMILESCCOC(C)OC(C)C(=O)c1ccccc1
InChIInChI=1S/C13H18O3/c1-4-15-11(3)16-10(2)13(14)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3
InChIKeyNQRGCKUJIQMPLT-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.66
Rot. Bonds6

About 2-(1-ethoxyethoxy)-1-phenylpropan-1-one

2-(1-ethoxyethoxy)-1-phenylpropan-1-one (PubChem CID 13311945) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-(1-ethoxyethoxy)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-(1-ethoxyethoxy)-1-phenylpropan-1-one
PubChem CID13311945
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-(1-ethoxyethoxy)-1-phenylpropan-1-one
SMILESCCOC(C)OC(C)C(=O)c1ccccc1
InChIInChI=1S/C13H18O3/c1-4-15-11(3)16-10(2)13(14)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3
InChIKeyNQRGCKUJIQMPLT-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-(1-ethoxyethoxy)ethoxy]ethyl benzoate
CID 175094889
benzene;2,2-diethoxy-1-phenylethanone;hydrate
CID 174859350
1-phenyl-2-propoxypropan-1-one
CID 43801137
2-ethoxy-3-oxo-3-phenylpropanoic acid
CID 154323938
bis[1-(1-ethoxyethoxy)ethyl] benzene-1,3-dicarboxylate
CID 121376026
2-(2-bromoethoxy)-1-phenylpropan-1-one
CID 54435812
2-ethoxy-1,2-diphenylethanone;propane
CID 174923231
2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one
CID 15163839
1-phenoxyethyl 3-(1-ethoxyethoxy)-2-methylidenebutaneperoxoate
CID 134561988
(2R)-3-benzamido-2-(1-ethoxyethoxy)-3-phenylpropanoic acid
CID 59033473
2-ethoxy-1-(4-ethylphenyl)propan-1-one
CID 43799619
ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
CID 98056042

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethoxy)-1-phenylpropan-1-one?
The IUPAC name of 2-(1-ethoxyethoxy)-1-phenylpropan-1-one (CID 13311945) is 2-(1-ethoxyethoxy)-1-phenylpropan-1-one.
What is the SMILES notation for 2-(1-ethoxyethoxy)-1-phenylpropan-1-one?
The canonical SMILES for 2-(1-ethoxyethoxy)-1-phenylpropan-1-one is CCOC(C)OC(C)C(=O)c1ccccc1.
What is the InChIKey of 2-(1-ethoxyethoxy)-1-phenylpropan-1-one?
The InChIKey is NQRGCKUJIQMPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-15-11(3)16-10(2)13(14)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3.
What are the key properties of 2-(1-ethoxyethoxy)-1-phenylpropan-1-one?
2-(1-ethoxyethoxy)-1-phenylpropan-1-one has a molecular weight of 222.28 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethoxy)-1-phenylpropan-1-one is sourced from PubChem (CID 13311945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).