ethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate

C16H22O4 — CID 117446205

IUPACethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(C2CCCC2)ccc1OC
InChIInChI=1S/C16H22O4/c1-3-20-16(18)15(17)13-10-12(8-9-14(13)19-2)11-6-4-5-7-11/h8-11,15,17H,3-7H2,1-2H3
InChIKeyDECSKNGLBIKEHD-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.95
Rot. Bonds5

About ethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate

ethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate (PubChem CID 117446205) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate
PubChem CID117446205
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Nameethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(C2CCCC2)ccc1OC
InChIInChI=1S/C16H22O4/c1-3-20-16(18)15(17)13-10-12(8-9-14(13)19-2)11-6-4-5-7-11/h8-11,15,17H,3-7H2,1-2H3
InChIKeyDECSKNGLBIKEHD-UHFFFAOYSA-N
XLogP2.95
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
CID 10775496
2-(5-cyclopentyl-2-methoxyphenyl)propan-1-ol
CID 117341035
3-amino-3-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid
CID 117447910
ethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate
CID 117393736
ethyl 2-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-hydroxyacetate
CID 117453752
2-amino-1-[2-methoxy-5-(oxan-4-yl)phenyl]ethanol
CID 117381624
ethyl 2-hydroxy-2-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 117449891
ethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate
CID 117472199
ethyl 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-hydroxyacetate
CID 117449897
ethyl 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate
CID 117461694
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
ethyl 2-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate
CID 117433352

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate (CID 117446205) is ethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1cc(C2CCCC2)ccc1OC.
What is the InChIKey of ethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate?
The InChIKey is DECSKNGLBIKEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-3-20-16(18)15(17)13-10-12(8-9-14(13)19-2)11-6-4-5-7-11/h8-11,15,17H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate?
ethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate has a molecular weight of 278.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117446205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).