1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone

C15H20O2 — CID 105135206

IUPAC1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1cccc(C2CCC2)c1
InChIInChI=1S/C15H20O2/c1-11(2)17-10-15(16)14-8-4-7-13(9-14)12-5-3-6-12/h4,7-9,11-12H,3,5-6,10H2,1-2H3
InChIKeyOGLHTKSWULVXTG-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.56
Rot. Bonds5

About 1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone

1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone (PubChem CID 105135206) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone
PubChem CID105135206
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1cccc(C2CCC2)c1
InChIInChI=1S/C15H20O2/c1-11(2)17-10-15(16)14-8-4-7-13(9-14)12-5-3-6-12/h4,7-9,11-12H,3,5-6,10H2,1-2H3
InChIKeyOGLHTKSWULVXTG-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-(4-cyclobutylphenyl)-2-propan-2-yloxyethanone
CID 105131775
1-(3-cyclobutylphenyl)-3,5,5-trimethylhexan-1-one
CID 115814546
1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone
CID 115019757
3-amino-1-(3-cyclobutylphenyl)pentan-1-one
CID 114607770
1-(3-chlorophenyl)-2-propan-2-yloxyethanone
CID 43798807
2-amino-1-(3-cyclohexylphenyl)ethanone
CID 83836181
1-(3-cyclobutylphenyl)-2-(3-ethoxycyclobutyl)ethanone
CID 103168158
3-amino-1-(3-cycloheptylphenyl)propan-1-one
CID 117365936
1-(3-cyclobutylphenyl)-2-(cyclopentylamino)ethanone
CID 114607490
1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
methyl 3-cyclohexylbenzoate
CID 67160762
2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone
CID 114607601

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone (CID 105135206) is 1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone?
The InChIKey is OGLHTKSWULVXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-11(2)17-10-15(16)14-8-4-7-13(9-14)12-5-3-6-12/h4,7-9,11-12H,3,5-6,10H2,1-2H3.
What are the key properties of 1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone?
1-(3-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-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 105135206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).