2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid

C10H11FO5 — CID 117331953

IUPAC2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1ccc(C(O)C(=O)O)c(OC)c1F
InChIInChI=1S/C10H11FO5/c1-15-6-4-3-5(8(12)10(13)14)9(16-2)7(6)11/h3-4,8,12H,1-2H3,(H,13,14)
InChIKeyVHPBBZXMJNGBMD-UHFFFAOYSA-N
MW230.19 g/mol
LogP0.96
Rot. Bonds4

About 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid

2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid (PubChem CID 117331953) has the molecular formula C10H11FO5 and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid
PubChem CID117331953
Molecular FormulaC10H11FO5
Molecular Weight230.19 g/mol
Exact Mass230.06
IUPAC Name2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1ccc(C(O)C(=O)O)c(OC)c1F
InChIInChI=1S/C10H11FO5/c1-15-6-4-3-5(8(12)10(13)14)9(16-2)7(6)11/h3-4,8,12H,1-2H3,(H,13,14)
InChIKeyVHPBBZXMJNGBMD-UHFFFAOYSA-N
XLogP0.96
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate
CID 117361997
2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117310475
2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117447207
2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
CID 117328303
2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-hydroxyacetic acid
CID 117428843
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341279
2-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid
CID 171009462
2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-hydroxyacetic acid
CID 117362007
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117384544
2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid
CID 117310492
2-hydroxy-2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid
CID 117344707

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid (CID 117331953) is 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid is COc1ccc(C(O)C(=O)O)c(OC)c1F.
What is the InChIKey of 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid?
The InChIKey is VHPBBZXMJNGBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO5/c1-15-6-4-3-5(8(12)10(13)14)9(16-2)7(6)11/h3-4,8,12H,1-2H3,(H,13,14).
What are the key properties of 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid?
2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid has a molecular weight of 230.19 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117331953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).