2-(2-cyclobutylphenyl)cycloheptan-1-one

C17H22O — CID 114605768

IUPAC2-(2-cyclobutylphenyl)cycloheptan-1-one
SMILESO=C1CCCCCC1c1ccccc1C1CCC1
InChIInChI=1S/C17H22O/c18-17-12-3-1-2-11-16(17)15-10-5-4-9-14(15)13-7-6-8-13/h4-5,9-10,13,16H,1-3,6-8,11-12H2
InChIKeyDAVQFKFUQJJTTR-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.57
Rot. Bonds2

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

2-(2-cyclobutylphenyl)cycloheptan-1-one (PubChem CID 114605768) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(2-cyclobutylphenyl)cycloheptan-1-one.

Molecular Properties

Compound Name2-(2-cyclobutylphenyl)cycloheptan-1-one
PubChem CID114605768
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name2-(2-cyclobutylphenyl)cycloheptan-1-one
SMILESO=C1CCCCCC1c1ccccc1C1CCC1
InChIInChI=1S/C17H22O/c18-17-12-3-1-2-11-16(17)15-10-5-4-9-14(15)13-7-6-8-13/h4-5,9-10,13,16H,1-3,6-8,11-12H2
InChIKeyDAVQFKFUQJJTTR-UHFFFAOYSA-N
XLogP4.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-cyclobutylphenyl)cyclohexan-1-one
CID 114605762
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-(1-benzothiophen-7-yl)cycloheptan-1-one
CID 81146705
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-cyclodecylbenzaldehyde
CID 142358507
methyl 4-[2-(2-oxocycloheptyl)phenyl]benzoate
CID 56654956
(2E)-2-[(2-cyclohexylphenyl)methylidene]cyclohexan-1-one
CID 68643049
2-isoquinolin-8-ylcyclohexan-1-one
CID 103139180

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylphenyl)cycloheptan-1-one?
The IUPAC name of 2-(2-cyclobutylphenyl)cycloheptan-1-one (CID 114605768) is 2-(2-cyclobutylphenyl)cycloheptan-1-one.
What is the SMILES notation for 2-(2-cyclobutylphenyl)cycloheptan-1-one?
The canonical SMILES for 2-(2-cyclobutylphenyl)cycloheptan-1-one is O=C1CCCCCC1c1ccccc1C1CCC1.
What is the InChIKey of 2-(2-cyclobutylphenyl)cycloheptan-1-one?
The InChIKey is DAVQFKFUQJJTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c18-17-12-3-1-2-11-16(17)15-10-5-4-9-14(15)13-7-6-8-13/h4-5,9-10,13,16H,1-3,6-8,11-12H2.
What are the key properties of 2-(2-cyclobutylphenyl)cycloheptan-1-one?
2-(2-cyclobutylphenyl)cycloheptan-1-one has a molecular weight of 242.36 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylphenyl)cycloheptan-1-one is sourced from PubChem (CID 114605768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).