ethyl 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetate

C11H14O5 — CID 12569542

IUPACethyl 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetate
SMILESCCOC(=O)C(O)c1ccc(OC)c(O)c1
InChIInChI=1S/C11H14O5/c1-3-16-11(14)10(13)7-4-5-9(15-2)8(12)6-7/h4-6,10,12-13H,3H2,1-2H3
InChIKeyTVPGKWGQPSIRLU-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.00
Rot. Bonds4

About ethyl 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetate

ethyl 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetate (PubChem CID 12569542) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetate
PubChem CID12569542
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Nameethyl 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetate
SMILESCCOC(=O)C(O)c1ccc(OC)c(O)c1
InChIInChI=1S/C11H14O5/c1-3-16-11(14)10(13)7-4-5-9(15-2)8(12)6-7/h4-6,10,12-13H,3H2,1-2H3
InChIKeyTVPGKWGQPSIRLU-UHFFFAOYSA-N
XLogP1.00
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetate (CID 12569542) is ethyl 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetate is CCOC(=O)C(O)c1ccc(OC)c(O)c1.
What is the InChIKey of ethyl 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetate?
The InChIKey is TVPGKWGQPSIRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-3-16-11(14)10(13)7-4-5-9(15-2)8(12)6-7/h4-6,10,12-13H,3H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetate?
ethyl 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetate has a molecular weight of 226.23 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetate is sourced from PubChem (CID 12569542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).