3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one

C16H20O — CID 114606118

IUPAC3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one
SMILESO=C(CCc1ccccc1C1CCC1)C1CC1
InChIInChI=1S/C16H20O/c17-16(14-8-9-14)11-10-13-4-1-2-7-15(13)12-5-3-6-12/h1-2,4,7,12,14H,3,5-6,8-11H2
InChIKeyKYMIITLFDYMBPB-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.87
Rot. Bonds5

About 3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one

3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one (PubChem CID 114606118) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one.

Molecular Properties

Compound Name3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one
PubChem CID114606118
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one
SMILESO=C(CCc1ccccc1C1CCC1)C1CC1
InChIInChI=1S/C16H20O/c17-16(14-8-9-14)11-10-13-4-1-2-7-15(13)12-5-3-6-12/h1-2,4,7,12,14H,3,5-6,8-11H2
InChIKeyKYMIITLFDYMBPB-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-(2-methylphenyl)propan-1-one
CID 24725657
1-cyclopropyl-3-(2-fluorophenyl)propan-1-one
CID 63351757
1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one
CID 24725961
1-[3-[2-(2-cyclobutylphenyl)ethyl]cyclopentyl]-5-hydroxypentane-1,3-dione
CID 130337664
1-(2-bromoethyl)-2-cyclobutylbenzene
CID 114605787
1-cyclohexyl-3-(2-methylphenyl)propan-1-one
CID 24725660
1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one
CID 24726267
1-cyclopropyl-3-phenylpropan-1-one
CID 24725607
1-(2-cyclopentylphenyl)propan-2-one
CID 83832084
2-(2-cyclopentylphenyl)acetamide
CID 68862878
3-[2-(4,4-dimethylcyclohexyl)phenyl]propanoic acid
CID 117405464
2-(2-cycloheptylphenyl)ethanamine
CID 83836329

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one?
The IUPAC name of 3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one (CID 114606118) is 3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one.
What is the SMILES notation for 3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one?
The canonical SMILES for 3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one is O=C(CCc1ccccc1C1CCC1)C1CC1.
What is the InChIKey of 3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one?
The InChIKey is KYMIITLFDYMBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c17-16(14-8-9-14)11-10-13-4-1-2-7-15(13)12-5-3-6-12/h1-2,4,7,12,14H,3,5-6,8-11H2.
What are the key properties of 3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one?
3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one has a molecular weight of 228.34 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one is sourced from PubChem (CID 114606118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).