2-(2-methoxyphenoxy)-2-oxoacetic acid

C9H8O5 — CID 14886364

IUPAC2-(2-methoxyphenoxy)-2-oxoacetic acid
SMILESCOc1ccccc1OC(=O)C(=O)O
InChIInChI=1S/C9H8O5/c1-13-6-4-2-3-5-7(6)14-9(12)8(10)11/h2-5H,1H3,(H,10,11)
InChIKeyMWEPOAJDDYZAEK-UHFFFAOYSA-N
MW196.16 g/mol
LogP0.69
Rot. Bonds2

About 2-(2-methoxyphenoxy)-2-oxoacetic acid

2-(2-methoxyphenoxy)-2-oxoacetic acid (PubChem CID 14886364) has the molecular formula C9H8O5 and a molecular weight of 196.16 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-2-oxoacetic acid
PubChem CID14886364
Molecular FormulaC9H8O5
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name2-(2-methoxyphenoxy)-2-oxoacetic acid
SMILESCOc1ccccc1OC(=O)C(=O)O
InChIInChI=1S/C9H8O5/c1-13-6-4-2-3-5-7(6)14-9(12)8(10)11/h2-5H,1H3,(H,10,11)
InChIKeyMWEPOAJDDYZAEK-UHFFFAOYSA-N
XLogP0.69
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxyphenyl) 2-(hydroxymethyl)prop-2-enoate
CID 69304242
2-methoxyphenol;oxalic acid
CID 162319729
(2-methoxyphenyl) 2-methylpropanoate
CID 836904
(2-methoxyphenyl) prop-2-enoate
CID 22987486
(2-methoxyphenyl) 2,2,2-trifluoroacetate
CID 613204
(2-methoxyphenyl) 2-methoxyacetate
CID 53423767
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
CID 174437926
(Z)-3-(2-methoxyphenoxy)-3-phenylprop-2-enoic acid
CID 5371395
2-(2-methoxyphenyl)prop-2-enamide
CID 67011938
(2-methoxyphenyl) N-propan-2-ylcarbamate
CID 2802349
2-(2-benzylphenoxy)-2-oxoacetic acid
CID 141025614

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-2-oxoacetic acid?
The IUPAC name of 2-(2-methoxyphenoxy)-2-oxoacetic acid (CID 14886364) is 2-(2-methoxyphenoxy)-2-oxoacetic acid.
What is the SMILES notation for 2-(2-methoxyphenoxy)-2-oxoacetic acid?
The canonical SMILES for 2-(2-methoxyphenoxy)-2-oxoacetic acid is COc1ccccc1OC(=O)C(=O)O.
What is the InChIKey of 2-(2-methoxyphenoxy)-2-oxoacetic acid?
The InChIKey is MWEPOAJDDYZAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O5/c1-13-6-4-2-3-5-7(6)14-9(12)8(10)11/h2-5H,1H3,(H,10,11).
What are the key properties of 2-(2-methoxyphenoxy)-2-oxoacetic acid?
2-(2-methoxyphenoxy)-2-oxoacetic acid has a molecular weight of 196.16 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-2-oxoacetic acid is sourced from PubChem (CID 14886364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).