2-(2-ethoxy-2-oxoethyl)benzoic acid

C11H12O4 — CID 11367771

IUPAC2-(2-ethoxy-2-oxoethyl)benzoic acid
SMILESCCOC(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C11H12O4/c1-2-15-10(12)7-8-5-3-4-6-9(8)11(13)14/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyOQXSHNPPCWOLOB-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.49
Rot. Bonds4

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

2-(2-ethoxy-2-oxoethyl)benzoic acid (PubChem CID 11367771) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-(2-ethoxy-2-oxoethyl)benzoic acid.

Molecular Properties

Compound Name2-(2-ethoxy-2-oxoethyl)benzoic acid
PubChem CID11367771
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-(2-ethoxy-2-oxoethyl)benzoic acid
SMILESCCOC(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C11H12O4/c1-2-15-10(12)7-8-5-3-4-6-9(8)11(13)14/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyOQXSHNPPCWOLOB-UHFFFAOYSA-N
XLogP1.49
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl 2-[2-(chloromethyl)phenyl]acetate
CID 13386156
2-[[4-(2-ethoxy-2-oxoethyl)phenoxy]methyl]benzoic acid
CID 154194947
ethyl butanoate;phthalic acid
CID 175043682
ethane;ethyl 2-(2-hydroxyphenyl)acetate
CID 153350759
ethyl 2-phenylacetate
CID 7590
2-(2-ethoxy-2-oxoethyl)-5-fluorobenzoic acid
CID 169448838
2-ethylbenzoic acid;ethyl 2-methylbenzoate
CID 175978347
2-ethylbenzoic acid;tungsten
CID 23518478
ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate
CID 140674199
ethyl 2-phenylacetate;hydrate
CID 141257001
2-(2-oxobutyl)benzoic acid
CID 12758327

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-2-oxoethyl)benzoic acid?
The IUPAC name of 2-(2-ethoxy-2-oxoethyl)benzoic acid (CID 11367771) is 2-(2-ethoxy-2-oxoethyl)benzoic acid.
What is the SMILES notation for 2-(2-ethoxy-2-oxoethyl)benzoic acid?
The canonical SMILES for 2-(2-ethoxy-2-oxoethyl)benzoic acid is CCOC(=O)Cc1ccccc1C(=O)O.
What is the InChIKey of 2-(2-ethoxy-2-oxoethyl)benzoic acid?
The InChIKey is OQXSHNPPCWOLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-2-15-10(12)7-8-5-3-4-6-9(8)11(13)14/h3-6H,2,7H2,1H3,(H,13,14).
What are the key properties of 2-(2-ethoxy-2-oxoethyl)benzoic acid?
2-(2-ethoxy-2-oxoethyl)benzoic acid has a molecular weight of 208.21 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-2-oxoethyl)benzoic acid is sourced from PubChem (CID 11367771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).