2-(2,3-diformylphenoxy)acetic acid

C10H8O5 — CID 163373860

IUPAC2-(2,3-diformylphenoxy)acetic acid
SMILESO=Cc1cccc(OCC(=O)O)c1C=O
InChIInChI=1S/C10H8O5/c11-4-7-2-1-3-9(8(7)5-12)15-6-10(13)14/h1-5H,6H2,(H,13,14)
InChIKeyPLMQRVZLMVZBSS-UHFFFAOYSA-N
MW208.17 g/mol
LogP0.77
Rot. Bonds5

About 2-(2,3-diformylphenoxy)acetic acid

2-(2,3-diformylphenoxy)acetic acid (PubChem CID 163373860) has the molecular formula C10H8O5 and a molecular weight of 208.17 g/mol. Its IUPAC name is 2-(2,3-diformylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2,3-diformylphenoxy)acetic acid
PubChem CID163373860
Molecular FormulaC10H8O5
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name2-(2,3-diformylphenoxy)acetic acid
SMILESO=Cc1cccc(OCC(=O)O)c1C=O
InChIInChI=1S/C10H8O5/c11-4-7-2-1-3-9(8(7)5-12)15-6-10(13)14/h1-5H,6H2,(H,13,14)
InChIKeyPLMQRVZLMVZBSS-UHFFFAOYSA-N
XLogP0.77
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-formylphenoxy)acetic acid;hydrate
CID 172655034
tert-butyl 2-(2,3-diformylphenoxy)acetate
CID 178004978
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
2-[3-(2,2-dimethylpropanoylamino)-2-formylphenoxy]acetic acid
CID 21082629
2-(2,3-diformylphenoxy)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 178004235
2-(2-chloro-6-formylphenoxy)acetic acid
CID 91570731
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-[3,5-bis(carboxymethoxy)-4-formylphenoxy]acetic acid
CID 56974198
2-[2-(3-amino-3-oxoprop-1-enyl)phenoxy]acetic acid
CID 169482271
2-[2-(4-chlorobut-1-enyl)phenoxy]acetic acid
CID 170499701
2-(2-formyl-3-phenylmethoxyphenoxy)acetamide
CID 176997821
2-(2-chlorosulfonylphenoxy)acetic acid
CID 54560500

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-diformylphenoxy)acetic acid?
The IUPAC name of 2-(2,3-diformylphenoxy)acetic acid (CID 163373860) is 2-(2,3-diformylphenoxy)acetic acid.
What is the SMILES notation for 2-(2,3-diformylphenoxy)acetic acid?
The canonical SMILES for 2-(2,3-diformylphenoxy)acetic acid is O=Cc1cccc(OCC(=O)O)c1C=O.
What is the InChIKey of 2-(2,3-diformylphenoxy)acetic acid?
The InChIKey is PLMQRVZLMVZBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O5/c11-4-7-2-1-3-9(8(7)5-12)15-6-10(13)14/h1-5H,6H2,(H,13,14).
What are the key properties of 2-(2,3-diformylphenoxy)acetic acid?
2-(2,3-diformylphenoxy)acetic acid has a molecular weight of 208.17 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-diformylphenoxy)acetic acid is sourced from PubChem (CID 163373860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).