1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanone

C15H20O2 — CID 105131775

IUPAC1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C15H20O2/c1-11(2)17-10-15(16)14-8-6-13(7-9-14)12-4-3-5-12/h6-9,11-12H,3-5,10H2,1-2H3
InChIKeyQTCDJSRVBOTFCW-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.56
Rot. Bonds5

About 1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanone

1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanone (PubChem CID 105131775) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanone
PubChem CID105131775
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C15H20O2/c1-11(2)17-10-15(16)14-8-6-13(7-9-14)12-4-3-5-12/h6-9,11-12H,3-5,10H2,1-2H3
InChIKeyQTCDJSRVBOTFCW-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone
CID 105135206
4-cyclobutyl-N-propan-2-ylbenzamide
CID 174282086
1-(4-cyclobutylphenyl)-2-(methylamino)ethanone
CID 116553849
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2,2-diphenylacetate
CID 4993605
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
1-(4-cyclobutylphenyl)-2-methylbutan-1-one
CID 116505591
1-(4-cyclobutylphenyl)-3-methoxy-3-methylbutan-1-one
CID 103023554
1-(4-cyclobutylphenyl)-2-ethylsulfanylethanone
CID 116505606
1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanol
CID 105129139
1-[4-(4-cyclopentylphenoxy)phenyl]propan-1-one
CID 157293916
2-tert-butylsulfanyl-1-(4-cyclobutylphenyl)ethanone
CID 116505609
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
CID 43798834

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanone (CID 105131775) is 1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanone?
The InChIKey is QTCDJSRVBOTFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-11(2)17-10-15(16)14-8-6-13(7-9-14)12-4-3-5-12/h6-9,11-12H,3-5,10H2,1-2H3.
What are the key properties of 1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanone?
1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanone has a molecular weight of 232.32 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 105131775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).