cyclobutyl-(2,4,5-trimethylphenyl)methanone

C14H18O — CID 64989834

IUPACcyclobutyl-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CCC2)cc1C
InChIInChI=1S/C14H18O/c1-9-7-11(3)13(8-10(9)2)14(15)12-5-4-6-12/h7-8,12H,4-6H2,1-3H3
InChIKeyMKWREFQADUFQQU-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.59
Rot. Bonds2

About cyclobutyl-(2,4,5-trimethylphenyl)methanone

cyclobutyl-(2,4,5-trimethylphenyl)methanone (PubChem CID 64989834) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is cyclobutyl-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Namecyclobutyl-(2,4,5-trimethylphenyl)methanone
PubChem CID64989834
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Namecyclobutyl-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CCC2)cc1C
InChIInChI=1S/C14H18O/c1-9-7-11(3)13(8-10(9)2)14(15)12-5-4-6-12/h7-8,12H,4-6H2,1-3H3
InChIKeyMKWREFQADUFQQU-UHFFFAOYSA-N
XLogP3.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of cyclobutyl-(2,4,5-trimethylphenyl)methanone (CID 64989834) is cyclobutyl-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for cyclobutyl-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for cyclobutyl-(2,4,5-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)C2CCC2)cc1C.
What is the InChIKey of cyclobutyl-(2,4,5-trimethylphenyl)methanone?
The InChIKey is MKWREFQADUFQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-9-7-11(3)13(8-10(9)2)14(15)12-5-4-6-12/h7-8,12H,4-6H2,1-3H3.
What are the key properties of cyclobutyl-(2,4,5-trimethylphenyl)methanone?
cyclobutyl-(2,4,5-trimethylphenyl)methanone has a molecular weight of 202.30 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 64989834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).