2-(2-methoxy-2-oxoethoxy)benzoic acid

C10H10O5 — CID 11218054

IUPAC2-(2-methoxy-2-oxoethoxy)benzoic acid
SMILESCOC(=O)COc1ccccc1C(=O)O
InChIInChI=1S/C10H10O5/c1-14-9(11)6-15-8-5-3-2-4-7(8)10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKeyDNLSNTKOYMQACJ-UHFFFAOYSA-N
MW210.18 g/mol
LogP0.94
Rot. Bonds4

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

2-(2-methoxy-2-oxoethoxy)benzoic acid (PubChem CID 11218054) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is 2-(2-methoxy-2-oxoethoxy)benzoic acid.

Molecular Properties

Compound Name2-(2-methoxy-2-oxoethoxy)benzoic acid
PubChem CID11218054
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name2-(2-methoxy-2-oxoethoxy)benzoic acid
SMILESCOC(=O)COc1ccccc1C(=O)O
InChIInChI=1S/C10H10O5/c1-14-9(11)6-15-8-5-3-2-4-7(8)10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKeyDNLSNTKOYMQACJ-UHFFFAOYSA-N
XLogP0.94
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
2-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 1302464
methyl 2-[2-[2-(dimethylamino)acetyl]phenoxy]acetate
CID 162353946
tert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate
CID 134353565
CID 58544147
CID 58544147
2-phenacyloxybenzoic acid
CID 23764826
2-hydroxy-6-(2-methoxy-2-oxoethoxy)benzoic acid
CID 21250849
2-ethoxybenzoic acid;zinc
CID 172723273
1-amino-4-(2-methoxy-2-oxoethoxy)naphthalene-2-carboxylic acid
CID 80528186
methyl 2-(2-benzylphenoxy)acetate
CID 43237517
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
methyl 2-(2-formylphenoxy)acetate
CID 5151625

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-2-oxoethoxy)benzoic acid?
The IUPAC name of 2-(2-methoxy-2-oxoethoxy)benzoic acid (CID 11218054) is 2-(2-methoxy-2-oxoethoxy)benzoic acid.
What is the SMILES notation for 2-(2-methoxy-2-oxoethoxy)benzoic acid?
The canonical SMILES for 2-(2-methoxy-2-oxoethoxy)benzoic acid is COC(=O)COc1ccccc1C(=O)O.
What is the InChIKey of 2-(2-methoxy-2-oxoethoxy)benzoic acid?
The InChIKey is DNLSNTKOYMQACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-14-9(11)6-15-8-5-3-2-4-7(8)10(12)13/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of 2-(2-methoxy-2-oxoethoxy)benzoic acid?
2-(2-methoxy-2-oxoethoxy)benzoic acid has a molecular weight of 210.18 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-2-oxoethoxy)benzoic acid is sourced from PubChem (CID 11218054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).