1-[2-(2-methylpropoxy)ethoxy]-3-phenylpropan-2-one

C15H22O3 — CID 106448309

IUPAC1-[2-(2-methylpropoxy)ethoxy]-3-phenylpropan-2-one
SMILESCC(C)COCCOCC(=O)Cc1ccccc1
InChIInChI=1S/C15H22O3/c1-13(2)11-17-8-9-18-12-15(16)10-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
InChIKeyGADJNJORLHZGBQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.49
Rot. Bonds9

About 1-[2-(2-methylpropoxy)ethoxy]-3-phenylpropan-2-one

1-[2-(2-methylpropoxy)ethoxy]-3-phenylpropan-2-one (PubChem CID 106448309) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[2-(2-methylpropoxy)ethoxy]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[2-(2-methylpropoxy)ethoxy]-3-phenylpropan-2-one
PubChem CID106448309
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-[2-(2-methylpropoxy)ethoxy]-3-phenylpropan-2-one
SMILESCC(C)COCCOCC(=O)Cc1ccccc1
InChIInChI=1S/C15H22O3/c1-13(2)11-17-8-9-18-12-15(16)10-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
InChIKeyGADJNJORLHZGBQ-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
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-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one
CID 43798706
1-phenyl-3-(4,4,4-trifluorobutoxy)propan-2-one
CID 82787955
2-amino-3-[3-[4-(2-methylpropyl)phenyl]-2-oxopropoxy]propanoic acid
CID 90933543
1-[2-(2-methylpropoxy)ethoxy]pentan-2-one
CID 106448350
3-methylbutyl 2-phenylacetate
CID 7600
2-(2-methylpropoxy)ethyl (2S)-2-amino-2-phenylacetate
CID 106448098
1-pentan-2-yloxy-3-phenylpropan-2-one
CID 102982877
1,3-diphenyl(213C)propan-2-one
CID 100945080
ethane;1-hydroxy-3-phenylpropan-2-one
CID 91537381
1-(2-aminoethoxy)-3-(4-propan-2-ylphenyl)propan-2-one
CID 116591045
1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one
CID 43799955
2-(2-methylpropoxy)ethyl 2-(2-aminophenyl)acetate
CID 106448277

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropoxy)ethoxy]-3-phenylpropan-2-one?
The IUPAC name of 1-[2-(2-methylpropoxy)ethoxy]-3-phenylpropan-2-one (CID 106448309) is 1-[2-(2-methylpropoxy)ethoxy]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[2-(2-methylpropoxy)ethoxy]-3-phenylpropan-2-one?
The canonical SMILES for 1-[2-(2-methylpropoxy)ethoxy]-3-phenylpropan-2-one is CC(C)COCCOCC(=O)Cc1ccccc1.
What is the InChIKey of 1-[2-(2-methylpropoxy)ethoxy]-3-phenylpropan-2-one?
The InChIKey is GADJNJORLHZGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-13(2)11-17-8-9-18-12-15(16)10-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3.
What are the key properties of 1-[2-(2-methylpropoxy)ethoxy]-3-phenylpropan-2-one?
1-[2-(2-methylpropoxy)ethoxy]-3-phenylpropan-2-one has a molecular weight of 250.34 g/mol, XLogP of 2.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropoxy)ethoxy]-3-phenylpropan-2-one is sourced from PubChem (CID 106448309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).