ethyl 2-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-hydroxyacetate

C15H22O5 — CID 117453752

IUPACethyl 2-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(C(C)C)c(OC)cc1OC
InChIInChI=1S/C15H22O5/c1-6-20-15(17)14(16)11-7-10(9(2)3)12(18-4)8-13(11)19-5/h7-9,14,16H,6H2,1-5H3
InChIKeyZRJVGQCGIOBTDM-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.42
Rot. Bonds6

About ethyl 2-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-hydroxyacetate

ethyl 2-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-hydroxyacetate (PubChem CID 117453752) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 2-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-hydroxyacetate
PubChem CID117453752
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Nameethyl 2-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(C(C)C)c(OC)cc1OC
InChIInChI=1S/C15H22O5/c1-6-20-15(17)14(16)11-7-10(9(2)3)12(18-4)8-13(11)19-5/h7-9,14,16H,6H2,1-5H3
InChIKeyZRJVGQCGIOBTDM-UHFFFAOYSA-N
XLogP2.42
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate
CID 117461694
ethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate
CID 117393736
ethyl 2-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate
CID 117433352
ethyl 2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117457710
ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
CID 10775496
ethyl 2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117367194
ethyl 2-(5-bromo-4-methoxy-2-methylphenyl)-2-hydroxyacetate
CID 117487986
ethyl 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxoacetate
CID 95470469
ethyl 2-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetate
CID 117489497
ethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate
CID 117446205
ethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate
CID 114636536
ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-hydroxyacetate (CID 117453752) is ethyl 2-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1cc(C(C)C)c(OC)cc1OC.
What is the InChIKey of ethyl 2-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-hydroxyacetate?
The InChIKey is ZRJVGQCGIOBTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-6-20-15(17)14(16)11-7-10(9(2)3)12(18-4)8-13(11)19-5/h7-9,14,16H,6H2,1-5H3.
What are the key properties of ethyl 2-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-hydroxyacetate?
ethyl 2-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-hydroxyacetate has a molecular weight of 282.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117453752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).