2-(2-fluoro-5-formyl-4-methoxyphenyl)-2-hydroxyacetic acid

C10H9FO5 — CID 171009531

IUPAC2-(2-fluoro-5-formyl-4-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1cc(F)c(C(O)C(=O)O)cc1C=O
InChIInChI=1S/C10H9FO5/c1-16-8-3-7(11)6(2-5(8)4-12)9(13)10(14)15/h2-4,9,13H,1H3,(H,14,15)
InChIKeyVJYLFGWAJMLWTL-UHFFFAOYSA-N
MW228.17 g/mol
LogP0.76
Rot. Bonds4

About 2-(2-fluoro-5-formyl-4-methoxyphenyl)-2-hydroxyacetic acid

2-(2-fluoro-5-formyl-4-methoxyphenyl)-2-hydroxyacetic acid (PubChem CID 171009531) has the molecular formula C10H9FO5 and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-(2-fluoro-5-formyl-4-methoxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-fluoro-5-formyl-4-methoxyphenyl)-2-hydroxyacetic acid
PubChem CID171009531
Molecular FormulaC10H9FO5
Molecular Weight228.17 g/mol
Exact Mass228.04
IUPAC Name2-(2-fluoro-5-formyl-4-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1cc(F)c(C(O)C(=O)O)cc1C=O
InChIInChI=1S/C10H9FO5/c1-16-8-3-7(11)6(2-5(8)4-12)9(13)10(14)15/h2-4,9,13H,1H3,(H,14,15)
InChIKeyVJYLFGWAJMLWTL-UHFFFAOYSA-N
XLogP0.76
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid
CID 117310492
5-acetyl-4-fluoro-2-methoxybenzaldehyde
CID 171009098
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
4-fluoro-2-methoxy-5-methylbenzaldehyde
CID 54566251
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117409616
2-(2-fluoro-5-hydroxy-4-methoxyphenyl)propanoic acid
CID 117305117
2-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid
CID 171009462
2-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117398867
2-[2-cyano-4-(difluoromethoxy)-5-formylphenyl]-2-hydroxyacetic acid
CID 171030869
2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid
CID 117384549
2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595
methyl 2-(2-formyl-5-hydroxy-4-methoxyphenyl)-2-hydroxyacetate
CID 117352583

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-formyl-4-methoxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-fluoro-5-formyl-4-methoxyphenyl)-2-hydroxyacetic acid (CID 171009531) is 2-(2-fluoro-5-formyl-4-methoxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-fluoro-5-formyl-4-methoxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-fluoro-5-formyl-4-methoxyphenyl)-2-hydroxyacetic acid is COc1cc(F)c(C(O)C(=O)O)cc1C=O.
What is the InChIKey of 2-(2-fluoro-5-formyl-4-methoxyphenyl)-2-hydroxyacetic acid?
The InChIKey is VJYLFGWAJMLWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO5/c1-16-8-3-7(11)6(2-5(8)4-12)9(13)10(14)15/h2-4,9,13H,1H3,(H,14,15).
What are the key properties of 2-(2-fluoro-5-formyl-4-methoxyphenyl)-2-hydroxyacetic acid?
2-(2-fluoro-5-formyl-4-methoxyphenyl)-2-hydroxyacetic acid has a molecular weight of 228.17 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-formyl-4-methoxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 171009531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).