3-(4-fluoro-2-formylphenoxy)propanoic acid

C10H9FO4 — CID 107697641

IUPAC3-(4-fluoro-2-formylphenoxy)propanoic acid
SMILESO=Cc1cc(F)ccc1OCCC(=O)O
InChIInChI=1S/C10H9FO4/c11-8-1-2-9(7(5-8)6-12)15-4-3-10(13)14/h1-2,5-6H,3-4H2,(H,13,14)
InChIKeyRPBLTCPHARMVNS-UHFFFAOYSA-N
MW212.18 g/mol
LogP1.49
Rot. Bonds5

About 3-(4-fluoro-2-formylphenoxy)propanoic acid

3-(4-fluoro-2-formylphenoxy)propanoic acid (PubChem CID 107697641) has the molecular formula C10H9FO4 and a molecular weight of 212.18 g/mol. Its IUPAC name is 3-(4-fluoro-2-formylphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(4-fluoro-2-formylphenoxy)propanoic acid
PubChem CID107697641
Molecular FormulaC10H9FO4
Molecular Weight212.18 g/mol
Exact Mass212.05
IUPAC Name3-(4-fluoro-2-formylphenoxy)propanoic acid
SMILESO=Cc1cc(F)ccc1OCCC(=O)O
InChIInChI=1S/C10H9FO4/c11-8-1-2-9(7(5-8)6-12)15-4-3-10(13)14/h1-2,5-6H,3-4H2,(H,13,14)
InChIKeyRPBLTCPHARMVNS-UHFFFAOYSA-N
XLogP1.49
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide
CID 107697303
3-(2-chloro-4-fluorophenoxy)propanoic acid
CID 16778332
5-fluoro-2-(3-methylbut-2-enoxy)benzaldehyde
CID 91619201
5-fluoro-2-pent-4-ynoxybenzaldehyde
CID 107697828
2-[(3,5-dimethylphenyl)methoxy]-5-fluorobenzaldehyde
CID 107697277
N-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide
CID 107697615
5-fluoro-2-(2-hydroxy-2-phenylpropoxy)benzaldehyde
CID 107697932
tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
CID 118265568
3-(2-ethoxy-4-formylphenoxy)propanoic acid
CID 28701161
3-(4-ethoxy-3-formylphenyl)propanoic acid
CID 138986606
4-fluoro-2-propoxybenzaldehyde
CID 74889364
2-[(3,4-dimethylphenyl)methoxy]-5-fluorobenzaldehyde
CID 107697457

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-formylphenoxy)propanoic acid?
The IUPAC name of 3-(4-fluoro-2-formylphenoxy)propanoic acid (CID 107697641) is 3-(4-fluoro-2-formylphenoxy)propanoic acid.
What is the SMILES notation for 3-(4-fluoro-2-formylphenoxy)propanoic acid?
The canonical SMILES for 3-(4-fluoro-2-formylphenoxy)propanoic acid is O=Cc1cc(F)ccc1OCCC(=O)O.
What is the InChIKey of 3-(4-fluoro-2-formylphenoxy)propanoic acid?
The InChIKey is RPBLTCPHARMVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO4/c11-8-1-2-9(7(5-8)6-12)15-4-3-10(13)14/h1-2,5-6H,3-4H2,(H,13,14).
What are the key properties of 3-(4-fluoro-2-formylphenoxy)propanoic acid?
3-(4-fluoro-2-formylphenoxy)propanoic acid has a molecular weight of 212.18 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-formylphenoxy)propanoic acid is sourced from PubChem (CID 107697641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).