2-ethoxy-2,5-dimethyl-3-(2-phenylethyl)cyclopentan-1-one

C17H24O2 — CID 71416088

IUPAC2-ethoxy-2,5-dimethyl-3-(2-phenylethyl)cyclopentan-1-one
SMILESCCOC1(C)C(=O)C(C)CC1CCc1ccccc1
InChIInChI=1S/C17H24O2/c1-4-19-17(3)15(12-13(2)16(17)18)11-10-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3
InChIKeyRYUKVWRBQZPVDD-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.64
Rot. Bonds5

About 2-ethoxy-2,5-dimethyl-3-(2-phenylethyl)cyclopentan-1-one

2-ethoxy-2,5-dimethyl-3-(2-phenylethyl)cyclopentan-1-one (PubChem CID 71416088) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-ethoxy-2,5-dimethyl-3-(2-phenylethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-ethoxy-2,5-dimethyl-3-(2-phenylethyl)cyclopentan-1-one
PubChem CID71416088
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-ethoxy-2,5-dimethyl-3-(2-phenylethyl)cyclopentan-1-one
SMILESCCOC1(C)C(=O)C(C)CC1CCc1ccccc1
InChIInChI=1S/C17H24O2/c1-4-19-17(3)15(12-13(2)16(17)18)11-10-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3
InChIKeyRYUKVWRBQZPVDD-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethoxy-2,5-dimethyl-3-(2-phenylethyl)cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2,5-dimethyl-3-(2-phenylethyl)cyclopentan-1-one?
The IUPAC name of 2-ethoxy-2,5-dimethyl-3-(2-phenylethyl)cyclopentan-1-one (CID 71416088) is 2-ethoxy-2,5-dimethyl-3-(2-phenylethyl)cyclopentan-1-one.
What is the SMILES notation for 2-ethoxy-2,5-dimethyl-3-(2-phenylethyl)cyclopentan-1-one?
The canonical SMILES for 2-ethoxy-2,5-dimethyl-3-(2-phenylethyl)cyclopentan-1-one is CCOC1(C)C(=O)C(C)CC1CCc1ccccc1.
What is the InChIKey of 2-ethoxy-2,5-dimethyl-3-(2-phenylethyl)cyclopentan-1-one?
The InChIKey is RYUKVWRBQZPVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-4-19-17(3)15(12-13(2)16(17)18)11-10-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3.
What are the key properties of 2-ethoxy-2,5-dimethyl-3-(2-phenylethyl)cyclopentan-1-one?
2-ethoxy-2,5-dimethyl-3-(2-phenylethyl)cyclopentan-1-one has a molecular weight of 260.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2,5-dimethyl-3-(2-phenylethyl)cyclopentan-1-one is sourced from PubChem (CID 71416088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).