ethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate

C12H16O6 — CID 117393736

IUPACethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate
SMILESCCOC(=O)C(O)c1cc(OC)c(O)cc1OC
InChIInChI=1S/C12H16O6/c1-4-18-12(15)11(14)7-5-10(17-3)8(13)6-9(7)16-2/h5-6,11,13-14H,4H2,1-3H3
InChIKeyPGGCJCOWQBFBSW-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.01
Rot. Bonds5

About ethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate

ethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate (PubChem CID 117393736) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate
PubChem CID117393736
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Nameethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate
SMILESCCOC(=O)C(O)c1cc(OC)c(O)cc1OC
InChIInChI=1S/C12H16O6/c1-4-18-12(15)11(14)7-5-10(17-3)8(13)6-9(7)16-2/h5-6,11,13-14H,4H2,1-3H3
InChIKeyPGGCJCOWQBFBSW-UHFFFAOYSA-N
XLogP1.01
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-hydroxyacetate
CID 117453752
ethyl 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate
CID 117461694
ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
CID 10775496
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-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117367194
ethyl 2-hydroxy-2-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 117449891
ethyl 2-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetate
CID 117489497
ethyl 2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-2-hydroxyacetate
CID 117361967
ethyl 2-(5-bromo-4-methoxy-2-methylphenyl)-2-hydroxyacetate
CID 117487986
ethyl 2-hydroxy-2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)acetate
CID 117388878
4-(1-aminoethyl)-2,5-dimethoxyphenol
CID 117287023

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate (CID 117393736) is ethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate is CCOC(=O)C(O)c1cc(OC)c(O)cc1OC.
What is the InChIKey of ethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate?
The InChIKey is PGGCJCOWQBFBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O6/c1-4-18-12(15)11(14)7-5-10(17-3)8(13)6-9(7)16-2/h5-6,11,13-14H,4H2,1-3H3.
What are the key properties of ethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate?
ethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate has a molecular weight of 256.25 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate is sourced from PubChem (CID 117393736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).