2-(2-ethoxy-2-oxoethoxy)benzoic acid

C11H12O5 — CID 1302464

IUPAC2-(2-ethoxy-2-oxoethoxy)benzoic acid
SMILESCCOC(=O)COc1ccccc1C(=O)O
InChIInChI=1S/C11H12O5/c1-2-15-10(12)7-16-9-6-4-3-5-8(9)11(13)14/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyXZDPPXQRJVSKTK-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.33
Rot. Bonds5

About 2-(2-ethoxy-2-oxoethoxy)benzoic acid

2-(2-ethoxy-2-oxoethoxy)benzoic acid (PubChem CID 1302464) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-(2-ethoxy-2-oxoethoxy)benzoic acid.

Molecular Properties

Compound Name2-(2-ethoxy-2-oxoethoxy)benzoic acid
PubChem CID1302464
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name2-(2-ethoxy-2-oxoethoxy)benzoic acid
SMILESCCOC(=O)COc1ccccc1C(=O)O
InChIInChI=1S/C11H12O5/c1-2-15-10(12)7-16-9-6-4-3-5-8(9)11(13)14/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyXZDPPXQRJVSKTK-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

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Related Compounds

2,3-bis(2-ethoxy-2-oxoethoxy)benzoic acid
CID 18471117
2-(2-methoxy-2-oxoethoxy)benzoic acid
CID 11218054
2-(4-ethoxy-4-oxobutoxy)benzoic acid
CID 139610129
CID 88907825
CID 88907825
ethyl 2-[2-(3-phenylpropanoyl)phenoxy]acetate
CID 14976661
2-ethoxybenzoic acid;zinc
CID 172723273
ethyl (E)-3-[2-(2-ethoxy-2-oxoethoxy)phenyl]but-2-enoate
CID 10447046
ethyl 2-[2-(2-iminoacetyl)phenoxy]acetate
CID 90857354
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
2-(2-propanoyloxyethoxy)benzoic acid
CID 141005328
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931582

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-2-oxoethoxy)benzoic acid?
The IUPAC name of 2-(2-ethoxy-2-oxoethoxy)benzoic acid (CID 1302464) is 2-(2-ethoxy-2-oxoethoxy)benzoic acid.
What is the SMILES notation for 2-(2-ethoxy-2-oxoethoxy)benzoic acid?
The canonical SMILES for 2-(2-ethoxy-2-oxoethoxy)benzoic acid is CCOC(=O)COc1ccccc1C(=O)O.
What is the InChIKey of 2-(2-ethoxy-2-oxoethoxy)benzoic acid?
The InChIKey is XZDPPXQRJVSKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-2-15-10(12)7-16-9-6-4-3-5-8(9)11(13)14/h3-6H,2,7H2,1H3,(H,13,14).
What are the key properties of 2-(2-ethoxy-2-oxoethoxy)benzoic acid?
2-(2-ethoxy-2-oxoethoxy)benzoic 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-ethoxy-2-oxoethoxy)benzoic acid is sourced from PubChem (CID 1302464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).