ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate

C15H20O2 — CID 141490917

IUPACethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate
SMILESCCOC(=O)C[C@H]1CCC[C@H]1c1ccccc1
InChIInChI=1S/C15H20O2/c1-2-17-15(16)11-13-9-6-10-14(13)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3/t13-,14+/m1/s1
InChIKeyFRUFMACXQPFIBI-KGLIPLIRSA-N
MW232.32 g/mol
LogP3.52
Rot. Bonds4

About ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate

ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate (PubChem CID 141490917) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate
PubChem CID141490917
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Nameethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate
SMILESCCOC(=O)C[C@H]1CCC[C@H]1c1ccccc1
InChIInChI=1S/C15H20O2/c1-2-17-15(16)11-13-9-6-10-14(13)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3/t13-,14+/m1/s1
InChIKeyFRUFMACXQPFIBI-KGLIPLIRSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-[2-(4-hydroxyphenyl)cyclopentyl]acetate
CID 20792284
ethyl 2-[2-(4-methylsulfonylphenyl)cyclohexyl]acetate
CID 121319855
ethyl 2-[2-(3,5-dimethoxyphenyl)cyclohexyl]acetate
CID 71323182
ethyl 2-[(1S,2S)-2-(2-oxo-4-phenylbutyl)cyclopentyl]acetate
CID 154715240
methyl 3-[(1S,2R)-2-phenylcyclopentyl]propanoate
CID 101026694
ethyl (2S)-2-phenylcyclohexane-1-carboxylate
CID 101094608
methyl 2-[2-(4-methylphenyl)cycloheptyl]acetate
CID 82245970
ethyl 2-[(1R,2R)-2-[(1R)-1-hydroxy-2-phenylmethoxyethyl]cyclopentyl]acetate
CID 134303215
methyl 2-[2-(3-methylphenyl)cycloheptyl]acetate
CID 82245972
ethyl 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate
CID 134888250
(2-butylcyclopentyl)benzene
CID 20616758
ethyl 2-(2-propan-2-ylcyclohexyl)acetate
CID 58689217

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate?
The IUPAC name of ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate (CID 141490917) is ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate?
The canonical SMILES for ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate is CCOC(=O)C[C@H]1CCC[C@H]1c1ccccc1.
What is the InChIKey of ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate?
The InChIKey is FRUFMACXQPFIBI-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-17-15(16)11-13-9-6-10-14(13)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3/t13-,14+/m1/s1.
What are the key properties of ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate?
ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate has a molecular weight of 232.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate is sourced from PubChem (CID 141490917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).