ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate

C12H16O4 — CID 10775496

IUPACethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
SMILESCCOC(=O)C(O)c1cc(C)ccc1OC
InChIInChI=1S/C12H16O4/c1-4-16-12(14)11(13)9-7-8(2)5-6-10(9)15-3/h5-7,11,13H,4H2,1-3H3
InChIKeyKEAUCFVSBAEVTE-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.60
Rot. Bonds4

About ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate

ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate (PubChem CID 10775496) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
PubChem CID10775496
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Nameethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
SMILESCCOC(=O)C(O)c1cc(C)ccc1OC
InChIInChI=1S/C12H16O4/c1-4-16-12(14)11(13)9-7-8(2)5-6-10(9)15-3/h5-7,11,13H,4H2,1-3H3
InChIKeyKEAUCFVSBAEVTE-UHFFFAOYSA-N
XLogP1.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-(2,4-dimethylphenyl)-2-hydroxyacetate
CID 102392309
ethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate
CID 117446205
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
3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366721
ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate
CID 117428823
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
ethyl 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate
CID 117461694
2-(2-methoxy-5-methylphenyl)pentan-3-one
CID 79308264
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-[1-(2-methoxy-5-methylphenyl)ethyl]pentanoate
CID 83052460

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate (CID 10775496) is ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate is CCOC(=O)C(O)c1cc(C)ccc1OC.
What is the InChIKey of ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate?
The InChIKey is KEAUCFVSBAEVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-4-16-12(14)11(13)9-7-8(2)5-6-10(9)15-3/h5-7,11,13H,4H2,1-3H3.
What are the key properties of ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate?
ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate has a molecular weight of 224.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate is sourced from PubChem (CID 10775496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).