cyclobutyl-(2-methyl-5-propan-2-ylphenyl)methanone

C15H20O — CID 82493091

IUPACcyclobutyl-(2-methyl-5-propan-2-ylphenyl)methanone
SMILESCc1ccc(C(C)C)cc1C(=O)C1CCC1
InChIInChI=1S/C15H20O/c1-10(2)13-8-7-11(3)14(9-13)15(16)12-5-4-6-12/h7-10,12H,4-6H2,1-3H3
InChIKeyQMJYODYKTYTTCK-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.10
Rot. Bonds3

About cyclobutyl-(2-methyl-5-propan-2-ylphenyl)methanone

cyclobutyl-(2-methyl-5-propan-2-ylphenyl)methanone (PubChem CID 82493091) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is cyclobutyl-(2-methyl-5-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Namecyclobutyl-(2-methyl-5-propan-2-ylphenyl)methanone
PubChem CID82493091
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Namecyclobutyl-(2-methyl-5-propan-2-ylphenyl)methanone
SMILESCc1ccc(C(C)C)cc1C(=O)C1CCC1
InChIInChI=1S/C15H20O/c1-10(2)13-8-7-11(3)14(9-13)15(16)12-5-4-6-12/h7-10,12H,4-6H2,1-3H3
InChIKeyQMJYODYKTYTTCK-UHFFFAOYSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-aminocyclobutyl)-(2-methyl-5-propan-2-ylphenyl)methanone
CID 116917735
cyclobutyl-(2,4,5-trimethylphenyl)methanone
CID 64989834
2-(2-methyl-5-propan-2-ylphenyl)-2-oxoacetic acid
CID 82470282
2-bromo-1-(2-methyl-5-propan-2-ylphenyl)propan-1-one
CID 82487811
cyclobutyl-(2,4-dimethylphenyl)methanone
CID 24724130
1-(2-methyl-5-propan-2-ylphenyl)-3-piperidin-1-ylprop-2-yn-1-one
CID 116825742
1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-3-ylethanone
CID 116917204
1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-2-ylethanone
CID 116917151
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
3-bromo-1-(2-methyl-5-propan-2-ylphenyl)propane-1,2-dione
CID 116822755
(4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone
CID 105095400
cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-propan-2-ylphenyl]methanone
CID 138530566

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2-methyl-5-propan-2-ylphenyl)methanone?
The IUPAC name of cyclobutyl-(2-methyl-5-propan-2-ylphenyl)methanone (CID 82493091) is cyclobutyl-(2-methyl-5-propan-2-ylphenyl)methanone.
What is the SMILES notation for cyclobutyl-(2-methyl-5-propan-2-ylphenyl)methanone?
The canonical SMILES for cyclobutyl-(2-methyl-5-propan-2-ylphenyl)methanone is Cc1ccc(C(C)C)cc1C(=O)C1CCC1.
What is the InChIKey of cyclobutyl-(2-methyl-5-propan-2-ylphenyl)methanone?
The InChIKey is QMJYODYKTYTTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-10(2)13-8-7-11(3)14(9-13)15(16)12-5-4-6-12/h7-10,12H,4-6H2,1-3H3.
What are the key properties of cyclobutyl-(2-methyl-5-propan-2-ylphenyl)methanone?
cyclobutyl-(2-methyl-5-propan-2-ylphenyl)methanone has a molecular weight of 216.32 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2-methyl-5-propan-2-ylphenyl)methanone is sourced from PubChem (CID 82493091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).