2-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid

C10H9FO5 — CID 171009462

IUPAC2-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1c(C(O)C(=O)O)ccc(F)c1C=O
InChIInChI=1S/C10H9FO5/c1-16-9-5(8(13)10(14)15)2-3-7(11)6(9)4-12/h2-4,8,13H,1H3,(H,14,15)
InChIKeyBROGUVUIBBEEEM-UHFFFAOYSA-N
MW228.17 g/mol
LogP0.76
Rot. Bonds4

About 2-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid

2-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid (PubChem CID 171009462) has the molecular formula C10H9FO5 and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid
PubChem CID171009462
Molecular FormulaC10H9FO5
Molecular Weight228.17 g/mol
Exact Mass228.04
IUPAC Name2-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1c(C(O)C(=O)O)ccc(F)c1C=O
InChIInChI=1S/C10H9FO5/c1-16-9-5(8(13)10(14)15)2-3-7(11)6(9)4-12/h2-4,8,13H,1H3,(H,14,15)
InChIKeyBROGUVUIBBEEEM-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-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117310475
2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341279
2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-hydroxyacetic acid
CID 117362007
2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117331953
2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117447207
4-fluoro-3-formyl-2-methoxybenzoyl chloride
CID 171009671
2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341280
2-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-2-hydroxyacetic acid
CID 171026342
2-(2-fluoro-5-formyl-4-methoxyphenyl)-2-hydroxyacetic acid
CID 171009531
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate
CID 117328411
2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131032215

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid (CID 171009462) is 2-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid is COc1c(C(O)C(=O)O)ccc(F)c1C=O.
What is the InChIKey of 2-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid?
The InChIKey is BROGUVUIBBEEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO5/c1-16-9-5(8(13)10(14)15)2-3-7(11)6(9)4-12/h2-4,8,13H,1H3,(H,14,15).
What are the key properties of 2-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid?
2-(4-fluoro-3-formyl-2-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-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 171009462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).