ethyl 2-(2,4,6-trihydroxyphenyl)acetate

C10H12O5 — CID 96710196

IUPACethyl 2-(2,4,6-trihydroxyphenyl)acetate
SMILESCCOC(=O)Cc1c(O)cc(O)cc1O
InChIInChI=1S/C10H12O5/c1-2-15-10(14)5-7-8(12)3-6(11)4-9(7)13/h3-4,11-13H,2,5H2,1H3
InChIKeyJQVSWXGMKQTKJG-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.91
Rot. Bonds3

About ethyl 2-(2,4,6-trihydroxyphenyl)acetate

ethyl 2-(2,4,6-trihydroxyphenyl)acetate (PubChem CID 96710196) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is ethyl 2-(2,4,6-trihydroxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4,6-trihydroxyphenyl)acetate
PubChem CID96710196
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Nameethyl 2-(2,4,6-trihydroxyphenyl)acetate
SMILESCCOC(=O)Cc1c(O)cc(O)cc1O
InChIInChI=1S/C10H12O5/c1-2-15-10(14)5-7-8(12)3-6(11)4-9(7)13/h3-4,11-13H,2,5H2,1H3
InChIKeyJQVSWXGMKQTKJG-UHFFFAOYSA-N
XLogP0.91
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2,3,5,6-tetramethylphenyl)acetate
CID 82552065
ethyl 2-(4-cyano-2-hydroxy-6-methoxyphenyl)acetate
CID 134654711
1,3-bis(2,4,6-trihydroxyphenyl)propan-2-one
CID 156637989
ethyl 2-(2-chloro-6-cyano-4-hydroxyphenyl)acetate
CID 134653188
ethyl 2-(4-amino-2-bromo-6-methylphenyl)acetate
CID 171020589
ethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate
CID 171021330
ethyl 2-[4-(chloromethyl)-2,6-difluorophenyl]acetate
CID 171020029
ethane;ethyl 2-(2-hydroxyphenyl)acetate
CID 153350759
ethyl 2-(3-chloro-2,4,6-trimethylphenyl)acetate
CID 82551011
ethyl 2-[4,5-bis(2-ethoxy-2-oxoethyl)furan-3-yl]acetate
CID 100954074
ethyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 118437547
ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate
CID 171033814

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4,6-trihydroxyphenyl)acetate?
The IUPAC name of ethyl 2-(2,4,6-trihydroxyphenyl)acetate (CID 96710196) is ethyl 2-(2,4,6-trihydroxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(2,4,6-trihydroxyphenyl)acetate?
The canonical SMILES for ethyl 2-(2,4,6-trihydroxyphenyl)acetate is CCOC(=O)Cc1c(O)cc(O)cc1O.
What is the InChIKey of ethyl 2-(2,4,6-trihydroxyphenyl)acetate?
The InChIKey is JQVSWXGMKQTKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-2-15-10(14)5-7-8(12)3-6(11)4-9(7)13/h3-4,11-13H,2,5H2,1H3.
What are the key properties of ethyl 2-(2,4,6-trihydroxyphenyl)acetate?
ethyl 2-(2,4,6-trihydroxyphenyl)acetate has a molecular weight of 212.20 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4,6-trihydroxyphenyl)acetate is sourced from PubChem (CID 96710196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).