[2-hydroxy-6-(2-methoxyethoxy)phenyl] propanoate

C12H16O5 — CID 67735914

IUPAC[2-hydroxy-6-(2-methoxyethoxy)phenyl] propanoate
SMILESCCC(=O)Oc1c(O)cccc1OCCOC
InChIInChI=1S/C12H16O5/c1-3-11(14)17-12-9(13)5-4-6-10(12)16-8-7-15-2/h4-6,13H,3,7-8H2,1-2H3
InChIKeyHGWVIZZDUMAKHW-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.73
Rot. Bonds6

About [2-hydroxy-6-(2-methoxyethoxy)phenyl] propanoate

[2-hydroxy-6-(2-methoxyethoxy)phenyl] propanoate (PubChem CID 67735914) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is [2-hydroxy-6-(2-methoxyethoxy)phenyl] propanoate.

Molecular Properties

Compound Name[2-hydroxy-6-(2-methoxyethoxy)phenyl] propanoate
PubChem CID67735914
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name[2-hydroxy-6-(2-methoxyethoxy)phenyl] propanoate
SMILESCCC(=O)Oc1c(O)cccc1OCCOC
InChIInChI=1S/C12H16O5/c1-3-11(14)17-12-9(13)5-4-6-10(12)16-8-7-15-2/h4-6,13H,3,7-8H2,1-2H3
InChIKeyHGWVIZZDUMAKHW-UHFFFAOYSA-N
XLogP1.73
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-6-(2-methoxyethoxy)phenyl] propanoate?
The IUPAC name of [2-hydroxy-6-(2-methoxyethoxy)phenyl] propanoate (CID 67735914) is [2-hydroxy-6-(2-methoxyethoxy)phenyl] propanoate.
What is the SMILES notation for [2-hydroxy-6-(2-methoxyethoxy)phenyl] propanoate?
The canonical SMILES for [2-hydroxy-6-(2-methoxyethoxy)phenyl] propanoate is CCC(=O)Oc1c(O)cccc1OCCOC.
What is the InChIKey of [2-hydroxy-6-(2-methoxyethoxy)phenyl] propanoate?
The InChIKey is HGWVIZZDUMAKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-3-11(14)17-12-9(13)5-4-6-10(12)16-8-7-15-2/h4-6,13H,3,7-8H2,1-2H3.
What are the key properties of [2-hydroxy-6-(2-methoxyethoxy)phenyl] propanoate?
[2-hydroxy-6-(2-methoxyethoxy)phenyl] propanoate has a molecular weight of 240.25 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-6-(2-methoxyethoxy)phenyl] propanoate is sourced from PubChem (CID 67735914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).