cyclobutyl-(3,5-dimethylphenyl)methanone

C13H16O — CID 24724134

IUPACcyclobutyl-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)C2CCC2)c1
InChIInChI=1S/C13H16O/c1-9-6-10(2)8-12(7-9)13(14)11-4-3-5-11/h6-8,11H,3-5H2,1-2H3
InChIKeyANELQVVZWRFILR-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.29
Rot. Bonds2

About cyclobutyl-(3,5-dimethylphenyl)methanone

cyclobutyl-(3,5-dimethylphenyl)methanone (PubChem CID 24724134) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is cyclobutyl-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Namecyclobutyl-(3,5-dimethylphenyl)methanone
PubChem CID24724134
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Namecyclobutyl-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)C2CCC2)c1
InChIInChI=1S/C13H16O/c1-9-6-10(2)8-12(7-9)13(14)11-4-3-5-11/h6-8,11H,3-5H2,1-2H3
InChIKeyANELQVVZWRFILR-UHFFFAOYSA-N
XLogP3.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(3,5-dimethylphenyl)methanone?
The IUPAC name of cyclobutyl-(3,5-dimethylphenyl)methanone (CID 24724134) is cyclobutyl-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for cyclobutyl-(3,5-dimethylphenyl)methanone?
The canonical SMILES for cyclobutyl-(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)C2CCC2)c1.
What is the InChIKey of cyclobutyl-(3,5-dimethylphenyl)methanone?
The InChIKey is ANELQVVZWRFILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-9-6-10(2)8-12(7-9)13(14)11-4-3-5-11/h6-8,11H,3-5H2,1-2H3.
What are the key properties of cyclobutyl-(3,5-dimethylphenyl)methanone?
cyclobutyl-(3,5-dimethylphenyl)methanone has a molecular weight of 188.27 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 24724134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).