2-methoxy-3-(2-methoxyphenyl)-3-oxopropanoic acid

C11H12O5 — CID 54172457

IUPAC2-methoxy-3-(2-methoxyphenyl)-3-oxopropanoic acid
SMILESCOc1ccccc1C(=O)C(OC)C(=O)O
InChIInChI=1S/C11H12O5/c1-15-8-6-4-3-5-7(8)9(12)10(16-2)11(13)14/h3-6,10H,1-2H3,(H,13,14)
InChIKeyRXADPSCHIHKARJ-UHFFFAOYSA-N
MW224.21 g/mol
LogP0.98
Rot. Bonds5

About 2-methoxy-3-(2-methoxyphenyl)-3-oxopropanoic acid

2-methoxy-3-(2-methoxyphenyl)-3-oxopropanoic acid (PubChem CID 54172457) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-methoxy-3-(2-methoxyphenyl)-3-oxopropanoic acid.

Molecular Properties

Compound Name2-methoxy-3-(2-methoxyphenyl)-3-oxopropanoic acid
PubChem CID54172457
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name2-methoxy-3-(2-methoxyphenyl)-3-oxopropanoic acid
SMILESCOc1ccccc1C(=O)C(OC)C(=O)O
InChIInChI=1S/C11H12O5/c1-15-8-6-4-3-5-7(8)9(12)10(16-2)11(13)14/h3-6,10H,1-2H3,(H,13,14)
InChIKeyRXADPSCHIHKARJ-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxybenzoyl)-3-methylbutanoic acid
CID 116922978
3-(2-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid
CID 116924250
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
(2S)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723757
(2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723758
(2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-3-phenylbutan-1-one
CID 102254058
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-methoxybenzoyl iodide
CID 139677083
CID 135043978
CID 135043978
2,4,4-trifluoro-1-(2-methoxyphenyl)butane-1,3-dione
CID 87600233
2-methoxybenzoate;hydrochloride
CID 18793456
ethane;methyl 2-methoxybenzoate
CID 178037044

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(2-methoxyphenyl)-3-oxopropanoic acid?
The IUPAC name of 2-methoxy-3-(2-methoxyphenyl)-3-oxopropanoic acid (CID 54172457) is 2-methoxy-3-(2-methoxyphenyl)-3-oxopropanoic acid.
What is the SMILES notation for 2-methoxy-3-(2-methoxyphenyl)-3-oxopropanoic acid?
The canonical SMILES for 2-methoxy-3-(2-methoxyphenyl)-3-oxopropanoic acid is COc1ccccc1C(=O)C(OC)C(=O)O.
What is the InChIKey of 2-methoxy-3-(2-methoxyphenyl)-3-oxopropanoic acid?
The InChIKey is RXADPSCHIHKARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-15-8-6-4-3-5-7(8)9(12)10(16-2)11(13)14/h3-6,10H,1-2H3,(H,13,14).
What are the key properties of 2-methoxy-3-(2-methoxyphenyl)-3-oxopropanoic acid?
2-methoxy-3-(2-methoxyphenyl)-3-oxopropanoic acid has a molecular weight of 224.21 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(2-methoxyphenyl)-3-oxopropanoic acid is sourced from PubChem (CID 54172457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).