2-[2-methyl-5-(2-methylbutan-2-yl)phenyl]cyclopent-2-en-1-one

C17H22O — CID 59972792

IUPAC2-[2-methyl-5-(2-methylbutan-2-yl)phenyl]cyclopent-2-en-1-one
SMILESCCC(C)(C)c1ccc(C)c(C2=CCCC2=O)c1
InChIInChI=1S/C17H22O/c1-5-17(3,4)13-10-9-12(2)15(11-13)14-7-6-8-16(14)18/h7,9-11H,5-6,8H2,1-4H3
InChIKeyZLFSZNKADRQFAJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.43
Rot. Bonds3

About 2-[2-methyl-5-(2-methylbutan-2-yl)phenyl]cyclopent-2-en-1-one

2-[2-methyl-5-(2-methylbutan-2-yl)phenyl]cyclopent-2-en-1-one (PubChem CID 59972792) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[2-methyl-5-(2-methylbutan-2-yl)phenyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[2-methyl-5-(2-methylbutan-2-yl)phenyl]cyclopent-2-en-1-one
PubChem CID59972792
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name2-[2-methyl-5-(2-methylbutan-2-yl)phenyl]cyclopent-2-en-1-one
SMILESCCC(C)(C)c1ccc(C)c(C2=CCCC2=O)c1
InChIInChI=1S/C17H22O/c1-5-17(3,4)13-10-9-12(2)15(11-13)14-7-6-8-16(14)18/h7,9-11H,5-6,8H2,1-4H3
InChIKeyZLFSZNKADRQFAJ-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-(2-methylbutan-2-yl)phenyl]cyclopent-2-en-1-one?
The IUPAC name of 2-[2-methyl-5-(2-methylbutan-2-yl)phenyl]cyclopent-2-en-1-one (CID 59972792) is 2-[2-methyl-5-(2-methylbutan-2-yl)phenyl]cyclopent-2-en-1-one.
What is the SMILES notation for 2-[2-methyl-5-(2-methylbutan-2-yl)phenyl]cyclopent-2-en-1-one?
The canonical SMILES for 2-[2-methyl-5-(2-methylbutan-2-yl)phenyl]cyclopent-2-en-1-one is CCC(C)(C)c1ccc(C)c(C2=CCCC2=O)c1.
What is the InChIKey of 2-[2-methyl-5-(2-methylbutan-2-yl)phenyl]cyclopent-2-en-1-one?
The InChIKey is ZLFSZNKADRQFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-5-17(3,4)13-10-9-12(2)15(11-13)14-7-6-8-16(14)18/h7,9-11H,5-6,8H2,1-4H3.
What are the key properties of 2-[2-methyl-5-(2-methylbutan-2-yl)phenyl]cyclopent-2-en-1-one?
2-[2-methyl-5-(2-methylbutan-2-yl)phenyl]cyclopent-2-en-1-one has a molecular weight of 242.36 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-(2-methylbutan-2-yl)phenyl]cyclopent-2-en-1-one is sourced from PubChem (CID 59972792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).