2-(2-formyl-6-methoxyphenoxy)acetate

C10H9O5- — CID 6933847

IUPAC2-(2-formyl-6-methoxyphenoxy)acetate
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)/p-1
InChIKeySTGBYWNNAZDMFE-UHFFFAOYSA-M
MW209.18 g/mol
LogP-0.36
Rot. Bonds5

About 2-(2-formyl-6-methoxyphenoxy)acetate

2-(2-formyl-6-methoxyphenoxy)acetate (PubChem CID 6933847) has the molecular formula C10H9O5- and a molecular weight of 209.18 g/mol. Its IUPAC name is 2-(2-formyl-6-methoxyphenoxy)acetate.

Molecular Properties

Compound Name2-(2-formyl-6-methoxyphenoxy)acetate
PubChem CID6933847
Molecular FormulaC10H9O5-
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name2-(2-formyl-6-methoxyphenoxy)acetate
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)/p-1
InChIKeySTGBYWNNAZDMFE-UHFFFAOYSA-M
XLogP-0.36
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
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-formyl-6-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 61489932
2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
methyl (E)-4-(2-formyl-6-methoxyphenoxy)but-2-enoate
CID 10955961
2-(2,3-dihydroxypropoxy)-3-methoxybenzaldehyde
CID 82850307
2-[2-methoxy-6-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate
CID 2183604
N-(4-ethoxyphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide
CID 17201773
2-(2-formyl-6-methoxyphenoxy)-N-hydrazinylideneethanimidamide
CID 142322523
2-buta-2,3-dienoxy-3-methoxybenzaldehyde
CID 25034027

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-6-methoxyphenoxy)acetate?
The IUPAC name of 2-(2-formyl-6-methoxyphenoxy)acetate (CID 6933847) is 2-(2-formyl-6-methoxyphenoxy)acetate.
What is the SMILES notation for 2-(2-formyl-6-methoxyphenoxy)acetate?
The canonical SMILES for 2-(2-formyl-6-methoxyphenoxy)acetate is COc1cccc(C=O)c1OCC(=O)[O-].
What is the InChIKey of 2-(2-formyl-6-methoxyphenoxy)acetate?
The InChIKey is STGBYWNNAZDMFE-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-(2-formyl-6-methoxyphenoxy)acetate?
2-(2-formyl-6-methoxyphenoxy)acetate has a molecular weight of 209.18 g/mol, XLogP of -0.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-6-methoxyphenoxy)acetate is sourced from PubChem (CID 6933847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).