ethyl 2-(2-oxo-3-phenylcyclopentyl)acetate

C15H18O3 — CID 135086790

IUPACethyl 2-(2-oxo-3-phenylcyclopentyl)acetate
SMILESCCOC(=O)CC1CCC(c2ccccc2)C1=O
InChIInChI=1S/C15H18O3/c1-2-18-14(16)10-12-8-9-13(15(12)17)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3
InChIKeyUBLUPRCHZKMFSM-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.70
Rot. Bonds4

About ethyl 2-(2-oxo-3-phenylcyclopentyl)acetate

ethyl 2-(2-oxo-3-phenylcyclopentyl)acetate (PubChem CID 135086790) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 2-(2-oxo-3-phenylcyclopentyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-oxo-3-phenylcyclopentyl)acetate
PubChem CID135086790
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Nameethyl 2-(2-oxo-3-phenylcyclopentyl)acetate
SMILESCCOC(=O)CC1CCC(c2ccccc2)C1=O
InChIInChI=1S/C15H18O3/c1-2-18-14(16)10-12-8-9-13(15(12)17)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3
InChIKeyUBLUPRCHZKMFSM-UHFFFAOYSA-N
XLogP2.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Iophendylate
CID 7458
Isoamyl phenylacetate
CID 7600
Ethyl 3-phenylpropionate
CID 16237
Isobutyl phenylacetate
CID 60998
Hexyl phenylacetate
CID 221691
Ethyl 4-phenylbutanoate
CID 61452
3-Phenyl propyl hexanoate
CID 221417
Butyl phenylacetate
CID 31210
3-Hexenyl phenylacetate, (3Z)-
CID 5367698
Benzeneacetic acid, alpha-methyl-, ethyl ester
CID 99643
Citronellyl phenylacetate
CID 8767
Pentyl phenylacetate
CID 98492

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxo-3-phenylcyclopentyl)acetate?
The IUPAC name of ethyl 2-(2-oxo-3-phenylcyclopentyl)acetate (CID 135086790) is ethyl 2-(2-oxo-3-phenylcyclopentyl)acetate.
What is the SMILES notation for ethyl 2-(2-oxo-3-phenylcyclopentyl)acetate?
The canonical SMILES for ethyl 2-(2-oxo-3-phenylcyclopentyl)acetate is CCOC(=O)CC1CCC(c2ccccc2)C1=O.
What is the InChIKey of ethyl 2-(2-oxo-3-phenylcyclopentyl)acetate?
The InChIKey is UBLUPRCHZKMFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-2-18-14(16)10-12-8-9-13(15(12)17)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3.
What are the key properties of ethyl 2-(2-oxo-3-phenylcyclopentyl)acetate?
ethyl 2-(2-oxo-3-phenylcyclopentyl)acetate has a molecular weight of 246.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxo-3-phenylcyclopentyl)acetate is sourced from PubChem (CID 135086790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).