3-(2,4,5-trimethylphenyl)cyclopentan-1-one

C14H18O — CID 64989713

IUPAC3-(2,4,5-trimethylphenyl)cyclopentan-1-one
SMILESCc1cc(C)c(C2CCC(=O)C2)cc1C
InChIInChI=1S/C14H18O/c1-9-6-11(3)14(7-10(9)2)12-4-5-13(15)8-12/h6-7,12H,4-5,8H2,1-3H3
InChIKeyJRAKVZNZMXPUJM-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.45
Rot. Bonds1

About 3-(2,4,5-trimethylphenyl)cyclopentan-1-one

3-(2,4,5-trimethylphenyl)cyclopentan-1-one (PubChem CID 64989713) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(2,4,5-trimethylphenyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(2,4,5-trimethylphenyl)cyclopentan-1-one
PubChem CID64989713
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name3-(2,4,5-trimethylphenyl)cyclopentan-1-one
SMILESCc1cc(C)c(C2CCC(=O)C2)cc1C
InChIInChI=1S/C14H18O/c1-9-6-11(3)14(7-10(9)2)12-4-5-13(15)8-12/h6-7,12H,4-5,8H2,1-3H3
InChIKeyJRAKVZNZMXPUJM-UHFFFAOYSA-N
XLogP3.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4,5-trimethylphenyl)cyclopentan-1-one?
The IUPAC name of 3-(2,4,5-trimethylphenyl)cyclopentan-1-one (CID 64989713) is 3-(2,4,5-trimethylphenyl)cyclopentan-1-one.
What is the SMILES notation for 3-(2,4,5-trimethylphenyl)cyclopentan-1-one?
The canonical SMILES for 3-(2,4,5-trimethylphenyl)cyclopentan-1-one is Cc1cc(C)c(C2CCC(=O)C2)cc1C.
What is the InChIKey of 3-(2,4,5-trimethylphenyl)cyclopentan-1-one?
The InChIKey is JRAKVZNZMXPUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-9-6-11(3)14(7-10(9)2)12-4-5-13(15)8-12/h6-7,12H,4-5,8H2,1-3H3.
What are the key properties of 3-(2,4,5-trimethylphenyl)cyclopentan-1-one?
3-(2,4,5-trimethylphenyl)cyclopentan-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,5-trimethylphenyl)cyclopentan-1-one is sourced from PubChem (CID 64989713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).