1-cyclobutyl-4-(2-methylphenyl)butan-2-one

C15H20O — CID 105102936

IUPAC1-cyclobutyl-4-(2-methylphenyl)butan-2-one
SMILESCc1ccccc1CCC(=O)CC1CCC1
InChIInChI=1S/C15H20O/c1-12-5-2-3-8-14(12)9-10-15(16)11-13-6-4-7-13/h2-3,5,8,13H,4,6-7,9-11H2,1H3
InChIKeyLHXIWYLZQAGJDT-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.69
Rot. Bonds5

About 1-cyclobutyl-4-(2-methylphenyl)butan-2-one

1-cyclobutyl-4-(2-methylphenyl)butan-2-one (PubChem CID 105102936) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-cyclobutyl-4-(2-methylphenyl)butan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-4-(2-methylphenyl)butan-2-one
PubChem CID105102936
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-cyclobutyl-4-(2-methylphenyl)butan-2-one
SMILESCc1ccccc1CCC(=O)CC1CCC1
InChIInChI=1S/C15H20O/c1-12-5-2-3-8-14(12)9-10-15(16)11-13-6-4-7-13/h2-3,5,8,13H,4,6-7,9-11H2,1H3
InChIKeyLHXIWYLZQAGJDT-UHFFFAOYSA-N
XLogP3.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-cyclobutyl-4-phenoxybutan-2-one
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6-methyl-1-(2-methylphenyl)hept-6-en-3-one
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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-(2-methylphenyl)butan-2-one?
The IUPAC name of 1-cyclobutyl-4-(2-methylphenyl)butan-2-one (CID 105102936) is 1-cyclobutyl-4-(2-methylphenyl)butan-2-one.
What is the SMILES notation for 1-cyclobutyl-4-(2-methylphenyl)butan-2-one?
The canonical SMILES for 1-cyclobutyl-4-(2-methylphenyl)butan-2-one is Cc1ccccc1CCC(=O)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-4-(2-methylphenyl)butan-2-one?
The InChIKey is LHXIWYLZQAGJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-12-5-2-3-8-14(12)9-10-15(16)11-13-6-4-7-13/h2-3,5,8,13H,4,6-7,9-11H2,1H3.
What are the key properties of 1-cyclobutyl-4-(2-methylphenyl)butan-2-one?
1-cyclobutyl-4-(2-methylphenyl)butan-2-one has a molecular weight of 216.32 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-(2-methylphenyl)butan-2-one is sourced from PubChem (CID 105102936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).