3-(4-ethylbenzoyl)cyclopentan-1-one

C14H16O2 — CID 79639553

IUPAC3-(4-ethylbenzoyl)cyclopentan-1-one
SMILESCCc1ccc(C(=O)C2CCC(=O)C2)cc1
InChIInChI=1S/C14H16O2/c1-2-10-3-5-11(6-4-10)14(16)12-7-8-13(15)9-12/h3-6,12H,2,7-9H2,1H3
InChIKeyGWIFOZBVCCJPQN-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.80
Rot. Bonds3

About 3-(4-ethylbenzoyl)cyclopentan-1-one

3-(4-ethylbenzoyl)cyclopentan-1-one (PubChem CID 79639553) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(4-ethylbenzoyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(4-ethylbenzoyl)cyclopentan-1-one
PubChem CID79639553
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name3-(4-ethylbenzoyl)cyclopentan-1-one
SMILESCCc1ccc(C(=O)C2CCC(=O)C2)cc1
InChIInChI=1S/C14H16O2/c1-2-10-3-5-11(6-4-10)14(16)12-7-8-13(15)9-12/h3-6,12H,2,7-9H2,1H3
InChIKeyGWIFOZBVCCJPQN-UHFFFAOYSA-N
XLogP2.80
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylbenzoyl)cyclopentan-1-one?
The IUPAC name of 3-(4-ethylbenzoyl)cyclopentan-1-one (CID 79639553) is 3-(4-ethylbenzoyl)cyclopentan-1-one.
What is the SMILES notation for 3-(4-ethylbenzoyl)cyclopentan-1-one?
The canonical SMILES for 3-(4-ethylbenzoyl)cyclopentan-1-one is CCc1ccc(C(=O)C2CCC(=O)C2)cc1.
What is the InChIKey of 3-(4-ethylbenzoyl)cyclopentan-1-one?
The InChIKey is GWIFOZBVCCJPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-2-10-3-5-11(6-4-10)14(16)12-7-8-13(15)9-12/h3-6,12H,2,7-9H2,1H3.
What are the key properties of 3-(4-ethylbenzoyl)cyclopentan-1-one?
3-(4-ethylbenzoyl)cyclopentan-1-one has a molecular weight of 216.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylbenzoyl)cyclopentan-1-one is sourced from PubChem (CID 79639553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).