cyclohexyl-(2-propan-2-ylphenyl)methanone

C16H22O — CID 146007151

IUPACcyclohexyl-(2-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccccc1C(=O)C1CCCCC1
InChIInChI=1S/C16H22O/c1-12(2)14-10-6-7-11-15(14)16(17)13-8-4-3-5-9-13/h6-7,10-13H,3-5,8-9H2,1-2H3
InChIKeyYYHDKVLJPUKBSC-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.57
Rot. Bonds3

About cyclohexyl-(2-propan-2-ylphenyl)methanone

cyclohexyl-(2-propan-2-ylphenyl)methanone (PubChem CID 146007151) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is cyclohexyl-(2-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Namecyclohexyl-(2-propan-2-ylphenyl)methanone
PubChem CID146007151
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Namecyclohexyl-(2-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccccc1C(=O)C1CCCCC1
InChIInChI=1S/C16H22O/c1-12(2)14-10-6-7-11-15(14)16(17)13-8-4-3-5-9-13/h6-7,10-13H,3-5,8-9H2,1-2H3
InChIKeyYYHDKVLJPUKBSC-UHFFFAOYSA-N
XLogP4.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopropyl-(2-propan-2-ylphenyl)methanone
CID 53437883
4-(2-propan-2-ylbenzoyl)cyclohexane-1-carboxylic acid
CID 24722485
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone
CID 171947804
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
cycloheptyl-(2-methylsulfanylphenyl)methanone
CID 115794815
(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-(2-propan-2-ylphenyl)methanone
CID 171947801
2-[2-(cyclopropanecarbonyl)phenyl]propanenitrile
CID 23499878
cyclopentyl-(1-methyl-7-propan-2-ylindol-3-yl)methanone
CID 82278814
cycloheptyl-(2-iodophenyl)methanone
CID 115794862
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
2-(cyclohexanecarbonylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 1287138
N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
CID 729635

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2-propan-2-ylphenyl)methanone?
The IUPAC name of cyclohexyl-(2-propan-2-ylphenyl)methanone (CID 146007151) is cyclohexyl-(2-propan-2-ylphenyl)methanone.
What is the SMILES notation for cyclohexyl-(2-propan-2-ylphenyl)methanone?
The canonical SMILES for cyclohexyl-(2-propan-2-ylphenyl)methanone is CC(C)c1ccccc1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-(2-propan-2-ylphenyl)methanone?
The InChIKey is YYHDKVLJPUKBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-12(2)14-10-6-7-11-15(14)16(17)13-8-4-3-5-9-13/h6-7,10-13H,3-5,8-9H2,1-2H3.
What are the key properties of cyclohexyl-(2-propan-2-ylphenyl)methanone?
cyclohexyl-(2-propan-2-ylphenyl)methanone has a molecular weight of 230.35 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2-propan-2-ylphenyl)methanone is sourced from PubChem (CID 146007151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).