2-(2-cyclobutylphenyl)cyclohexan-1-one

C16H20O — CID 114605762

IUPAC2-(2-cyclobutylphenyl)cyclohexan-1-one
SMILESO=C1CCCCC1c1ccccc1C1CCC1
InChIInChI=1S/C16H20O/c17-16-11-4-3-10-15(16)14-9-2-1-8-13(14)12-6-5-7-12/h1-2,8-9,12,15H,3-7,10-11H2
InChIKeyXHUZXWLXZOJVJA-UHFFFAOYSA-N
MW228.33 g/mol
LogP4.18
Rot. Bonds2

About 2-(2-cyclobutylphenyl)cyclohexan-1-one

2-(2-cyclobutylphenyl)cyclohexan-1-one (PubChem CID 114605762) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-(2-cyclobutylphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(2-cyclobutylphenyl)cyclohexan-1-one
PubChem CID114605762
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name2-(2-cyclobutylphenyl)cyclohexan-1-one
SMILESO=C1CCCCC1c1ccccc1C1CCC1
InChIInChI=1S/C16H20O/c17-16-11-4-3-10-15(16)14-9-2-1-8-13(14)12-6-5-7-12/h1-2,8-9,12,15H,3-7,10-11H2
InChIKeyXHUZXWLXZOJVJA-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2-cyclobutylphenyl)cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-cyclobutylphenyl)cycloheptan-1-one
CID 114605768
2-(2-methoxyphenyl)cycloheptan-1-one
CID 44718991
(2R)-2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one
CID 94603909
(2R)-2-(2,3-dihydro-1H-indol-7-yl)cycloheptan-1-one
CID 97056672
2-[2-(2-trimethylsilylethynyl)phenyl]cyclohexan-1-one
CID 169324593
2-(1-benzofuran-3-yl)cyclohexan-1-one
CID 141104591
2-(2-nonylphenyl)cyclohexan-1-one
CID 67726706
2-(1-benzothiophen-7-yl)cycloheptan-1-one
CID 81146705
2-isoquinolin-8-ylcyclohexan-1-one
CID 103139180
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301
2-(2-hydroxyphenyl)cyclobutan-1-one
CID 14245733
2-(6-chloro-2-pyridinyl)cyclohexan-1-one
CID 10943734

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylphenyl)cyclohexan-1-one?
The IUPAC name of 2-(2-cyclobutylphenyl)cyclohexan-1-one (CID 114605762) is 2-(2-cyclobutylphenyl)cyclohexan-1-one.
What is the SMILES notation for 2-(2-cyclobutylphenyl)cyclohexan-1-one?
The canonical SMILES for 2-(2-cyclobutylphenyl)cyclohexan-1-one is O=C1CCCCC1c1ccccc1C1CCC1.
What is the InChIKey of 2-(2-cyclobutylphenyl)cyclohexan-1-one?
The InChIKey is XHUZXWLXZOJVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c17-16-11-4-3-10-15(16)14-9-2-1-8-13(14)12-6-5-7-12/h1-2,8-9,12,15H,3-7,10-11H2.
What are the key properties of 2-(2-cyclobutylphenyl)cyclohexan-1-one?
2-(2-cyclobutylphenyl)cyclohexan-1-one has a molecular weight of 228.33 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylphenyl)cyclohexan-1-one is sourced from PubChem (CID 114605762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).