methyl 2-(2-fluoro-5-formylphenoxy)acetate

C10H9FO4 — CID 168890908

IUPACmethyl 2-(2-fluoro-5-formylphenoxy)acetate
SMILESCOC(=O)COc1cc(C=O)ccc1F
InChIInChI=1S/C10H9FO4/c1-14-10(13)6-15-9-4-7(5-12)2-3-8(9)11/h2-5H,6H2,1H3
InChIKeyIKEUPKHNMATNDE-UHFFFAOYSA-N
MW212.18 g/mol
LogP1.19
Rot. Bonds4

About methyl 2-(2-fluoro-5-formylphenoxy)acetate

methyl 2-(2-fluoro-5-formylphenoxy)acetate (PubChem CID 168890908) has the molecular formula C10H9FO4 and a molecular weight of 212.18 g/mol. Its IUPAC name is methyl 2-(2-fluoro-5-formylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2-fluoro-5-formylphenoxy)acetate
PubChem CID168890908
Molecular FormulaC10H9FO4
Molecular Weight212.18 g/mol
Exact Mass212.05
IUPAC Namemethyl 2-(2-fluoro-5-formylphenoxy)acetate
SMILESCOC(=O)COc1cc(C=O)ccc1F
InChIInChI=1S/C10H9FO4/c1-14-10(13)6-15-9-4-7(5-12)2-3-8(9)11/h2-5H,6H2,1H3
InChIKeyIKEUPKHNMATNDE-UHFFFAOYSA-N
XLogP1.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate
CID 63320737
4-fluoro-3-(methoxymethoxy)benzaldehyde
CID 23143885
methyl 2-(2,6-difluoro-4-formylphenoxy)acetate
CID 79891826
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 968872
2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide
CID 103850142
methyl 2-(4-ethenyl-2-methoxyphenoxy)acetate
CID 167145651
tert-butyl 2-[4-formyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]acetate
CID 19085805
tert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate
CID 171130082
N-(3-chloro-4-fluorophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611560
(4-formyl-2-methoxyphenyl) 2-(4-chlorophenoxy)acetate
CID 39199766

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoro-5-formylphenoxy)acetate?
The IUPAC name of methyl 2-(2-fluoro-5-formylphenoxy)acetate (CID 168890908) is methyl 2-(2-fluoro-5-formylphenoxy)acetate.
What is the SMILES notation for methyl 2-(2-fluoro-5-formylphenoxy)acetate?
The canonical SMILES for methyl 2-(2-fluoro-5-formylphenoxy)acetate is COC(=O)COc1cc(C=O)ccc1F.
What is the InChIKey of methyl 2-(2-fluoro-5-formylphenoxy)acetate?
The InChIKey is IKEUPKHNMATNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO4/c1-14-10(13)6-15-9-4-7(5-12)2-3-8(9)11/h2-5H,6H2,1H3.
What are the key properties of methyl 2-(2-fluoro-5-formylphenoxy)acetate?
methyl 2-(2-fluoro-5-formylphenoxy)acetate has a molecular weight of 212.18 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoro-5-formylphenoxy)acetate is sourced from PubChem (CID 168890908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).