ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate

C15H20O4 — CID 117415048

IUPACethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C15H20O4/c1-2-18-15(17)14(16)11-6-5-9-13(10-11)19-12-7-3-4-8-12/h5-6,9-10,12,14,16H,2-4,7-8H2,1H3
InChIKeyPNJREBLESDPDLN-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.60
Rot. Bonds5

About ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate

ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate (PubChem CID 117415048) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate
PubChem CID117415048
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C15H20O4/c1-2-18-15(17)14(16)11-6-5-9-13(10-11)19-12-7-3-4-8-12/h5-6,9-10,12,14,16H,2-4,7-8H2,1H3
InChIKeyPNJREBLESDPDLN-UHFFFAOYSA-N
XLogP2.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate
CID 117367197
(2S)-2-amino-2-(3-cyclopentyloxyphenyl)acetic acid
CID 66513071
2-amino-1-(3-cyclohexyloxyphenyl)ethanol
CID 83824323
methyl 2-hydroxy-2-[3-(thian-3-yloxy)phenyl]acetate
CID 117453854
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
1-(3-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114521314
(1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine
CID 66517730
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
ethyl 2-hydroxy-2-(3-pentan-3-ylphenyl)acetate
CID 117379558
ethyl (2R)-2-[3-(4-bromobutoxy)phenyl]-2-hydroxyacetate
CID 69352259
1-(3-cyclopropyloxyphenyl)-3-propoxypropan-1-ol
CID 105131518
ethyl 2-hydroxy-2-[4-(thian-3-yloxy)phenyl]acetate
CID 117477690

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate (CID 117415048) is ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1cccc(OC2CCCC2)c1.
What is the InChIKey of ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate?
The InChIKey is PNJREBLESDPDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-2-18-15(17)14(16)11-6-5-9-13(10-11)19-12-7-3-4-8-12/h5-6,9-10,12,14,16H,2-4,7-8H2,1H3.
What are the key properties of ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate?
ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate has a molecular weight of 264.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117415048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).