2-(2-formyl-6-methoxyphenoxy)acetic acid

C10H10O5 — CID 737589

IUPAC2-(2-formyl-6-methoxyphenoxy)acetic acid
SMILESCOc1cccc(C=O)c1OCC(=O)O
InChIInChI=1S/C10H10O5/c1-14-8-4-2-3-7(5-11)10(8)15-6-9(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKeySTGBYWNNAZDMFE-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.97
Rot. Bonds5

About 2-(2-formyl-6-methoxyphenoxy)acetic acid

2-(2-formyl-6-methoxyphenoxy)acetic acid (PubChem CID 737589) has the molecular formula C10H10O5 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-(2-formyl-6-methoxyphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-formyl-6-methoxyphenoxy)acetic acid
PubChem CID737589
Molecular FormulaC10H10O5
Molecular Weight210.19 g/mol
Exact Mass210.05
IUPAC Name2-(2-formyl-6-methoxyphenoxy)acetic acid
SMILESCOc1cccc(C=O)c1OCC(=O)O
InChIInChI=1S/C10H10O5/c1-14-8-4-2-3-7(5-11)10(8)15-6-9(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKeySTGBYWNNAZDMFE-UHFFFAOYSA-N
XLogP0.97
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.97
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-formyl-6-methoxyphenoxy)acetate
CID 6933847
2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide
CID 43471368
2-(2-iminopropoxy)-3-methoxybenzaldehyde
CID 134433830
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
2-(2-chloro-6-formylphenoxy)acetic acid
CID 91570731
2-(2-aminoprop-2-enoxy)-3-methoxybenzaldehyde;2-methylbutanoic acid
CID 142322506
2-(2-formyl-6-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 61489932
2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
2-(2,3-diformylphenoxy)acetic acid
CID 163373860
methyl (E)-4-(2-formyl-6-methoxyphenoxy)but-2-enoate
CID 10955961
2-(2-formylphenoxy)acetic acid;hydrate
CID 172655034

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-6-methoxyphenoxy)acetic acid?
The IUPAC name of 2-(2-formyl-6-methoxyphenoxy)acetic acid (CID 737589) is 2-(2-formyl-6-methoxyphenoxy)acetic acid.
What is the SMILES notation for 2-(2-formyl-6-methoxyphenoxy)acetic acid?
The canonical SMILES for 2-(2-formyl-6-methoxyphenoxy)acetic acid is COc1cccc(C=O)c1OCC(=O)O.
What is the InChIKey of 2-(2-formyl-6-methoxyphenoxy)acetic acid?
The InChIKey is STGBYWNNAZDMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-14-8-4-2-3-7(5-11)10(8)15-6-9(12)13/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of 2-(2-formyl-6-methoxyphenoxy)acetic acid?
2-(2-formyl-6-methoxyphenoxy)acetic acid has a molecular weight of 210.19 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-6-methoxyphenoxy)acetic acid is sourced from PubChem (CID 737589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).