ethyl 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate

C14H19FO5 — CID 117461694

IUPACethyl 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(C(C)F)c(OC)cc1OC
InChIInChI=1S/C14H19FO5/c1-5-20-14(17)13(16)10-6-9(8(2)15)11(18-3)7-12(10)19-4/h6-8,13,16H,5H2,1-4H3
InChIKeyQKWZRWYIBTVJQX-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.33
Rot. Bonds6

About ethyl 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate

ethyl 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate (PubChem CID 117461694) has the molecular formula C14H19FO5 and a molecular weight of 286.30 g/mol. Its IUPAC name is ethyl 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate
PubChem CID117461694
Molecular FormulaC14H19FO5
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC Nameethyl 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(C(C)F)c(OC)cc1OC
InChIInChI=1S/C14H19FO5/c1-5-20-14(17)13(16)10-6-9(8(2)15)11(18-3)7-12(10)19-4/h6-8,13,16H,5H2,1-4H3
InChIKeyQKWZRWYIBTVJQX-UHFFFAOYSA-N
XLogP2.33
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-hydroxyacetate
CID 117453752
ethyl 2-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate
CID 117433352
ethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate
CID 117393736
ethyl 2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117457710
2-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117398867
ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
CID 10775496
ethyl 2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117367194
ethyl 2-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetate
CID 117489497
ethyl 2-(5-bromo-4-methoxy-2-methylphenyl)-2-hydroxyacetate
CID 117487986
ethyl 2-[3-(difluoromethyl)-2-hydroxy-5-methoxyphenyl]-2-hydroxyacetate
CID 117442001
ethyl 2-[3-fluoro-2-(1-fluoroethyl)phenyl]-2-hydroxyacetate
CID 117362052
ethyl 2-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117433339

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate (CID 117461694) is ethyl 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate is CCOC(=O)C(O)c1cc(C(C)F)c(OC)cc1OC.
What is the InChIKey of ethyl 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate?
The InChIKey is QKWZRWYIBTVJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO5/c1-5-20-14(17)13(16)10-6-9(8(2)15)11(18-3)7-12(10)19-4/h6-8,13,16H,5H2,1-4H3.
What are the key properties of ethyl 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate?
ethyl 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate has a molecular weight of 286.30 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate is sourced from PubChem (CID 117461694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).