2-(2-ethoxyacetyl)oxybenzoic acid

C11H12O5 — CID 163885904

IUPAC2-(2-ethoxyacetyl)oxybenzoic acid
SMILESCCOCC(=O)Oc1ccccc1C(=O)O
InChIInChI=1S/C11H12O5/c1-2-15-7-10(12)16-9-6-4-3-5-8(9)11(13)14/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyPXGMALZPHRUWBW-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.33
Rot. Bonds5

About 2-(2-ethoxyacetyl)oxybenzoic acid

2-(2-ethoxyacetyl)oxybenzoic acid (PubChem CID 163885904) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-(2-ethoxyacetyl)oxybenzoic acid.

Molecular Properties

Compound Name2-(2-ethoxyacetyl)oxybenzoic acid
PubChem CID163885904
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name2-(2-ethoxyacetyl)oxybenzoic acid
SMILESCCOCC(=O)Oc1ccccc1C(=O)O
InChIInChI=1S/C11H12O5/c1-2-15-7-10(12)16-9-6-4-3-5-8(9)11(13)14/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyPXGMALZPHRUWBW-UHFFFAOYSA-N
XLogP1.33
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(ethylamino)acetyl]oxybenzoic acid;hydrochloride
CID 175170820
2-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 1302464
2-ethoxybenzoic acid;zinc
CID 172723273
2-acetyloxybenzoic acid;azane;ethanol;hydrate
CID 174981083
2-(2-methylpropanoyloxy)benzoic acid
CID 54224926
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
ethanol;ethoxyethane;2-hydroxybenzoic acid
CID 69130253
2-pent-2-en-3-yloxybenzoic acid
CID 91304181
2-acetyloxybenzoic acid;ethene
CID 67877309
potassium;2-acetyloxybenzoic acid;chloride
CID 161210106
2-(2-methoxy-2-oxoethoxy)benzoic acid
CID 11218054
butyl 2-[2-(2-acetylphenoxy)-2-oxoethoxy]acetate
CID 91710355

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyacetyl)oxybenzoic acid?
The IUPAC name of 2-(2-ethoxyacetyl)oxybenzoic acid (CID 163885904) is 2-(2-ethoxyacetyl)oxybenzoic acid.
What is the SMILES notation for 2-(2-ethoxyacetyl)oxybenzoic acid?
The canonical SMILES for 2-(2-ethoxyacetyl)oxybenzoic acid is CCOCC(=O)Oc1ccccc1C(=O)O.
What is the InChIKey of 2-(2-ethoxyacetyl)oxybenzoic acid?
The InChIKey is PXGMALZPHRUWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-2-15-7-10(12)16-9-6-4-3-5-8(9)11(13)14/h3-6H,2,7H2,1H3,(H,13,14).
What are the key properties of 2-(2-ethoxyacetyl)oxybenzoic acid?
2-(2-ethoxyacetyl)oxybenzoic acid has a molecular weight of 224.21 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyacetyl)oxybenzoic acid is sourced from PubChem (CID 163885904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).