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

C9H8BrFO4 — CID 117447207

IUPAC2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1c(C(O)C(=O)O)ccc(Br)c1F
InChIInChI=1S/C9H8BrFO4/c1-15-8-4(7(12)9(13)14)2-3-5(10)6(8)11/h2-3,7,12H,1H3,(H,13,14)
InChIKeyCDDKFIXFZRAYKM-UHFFFAOYSA-N
MW279.06 g/mol
LogP1.71
Rot. Bonds3

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

2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid (PubChem CID 117447207) has the molecular formula C9H8BrFO4 and a molecular weight of 279.06 g/mol. Its IUPAC name is 2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
PubChem CID117447207
Molecular FormulaC9H8BrFO4
Molecular Weight279.06 g/mol
Exact Mass277.96
IUPAC Name2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1c(C(O)C(=O)O)ccc(Br)c1F
InChIInChI=1S/C9H8BrFO4/c1-15-8-4(7(12)9(13)14)2-3-5(10)6(8)11/h2-3,7,12H,1H3,(H,13,14)
InChIKeyCDDKFIXFZRAYKM-UHFFFAOYSA-N
XLogP1.71
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.06
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117310475
2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117331953
2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid
CID 117420924
2-(4-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117443520
2-(5-bromo-4-fluoro-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117475568
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
3-(4-bromo-3-fluoro-2-methoxyphenyl)-2-methylpropanoic acid
CID 117470123
2-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid
CID 171009462
2-(4-bromo-2-fluoro-3-iodophenyl)-2-hydroxyacetic acid
CID 171001481
(2R)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid
CID 131393166
(2S)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid
CID 131510376

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid (CID 117447207) is 2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid is COc1c(C(O)C(=O)O)ccc(Br)c1F.
What is the InChIKey of 2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid?
The InChIKey is CDDKFIXFZRAYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO4/c1-15-8-4(7(12)9(13)14)2-3-5(10)6(8)11/h2-3,7,12H,1H3,(H,13,14).
What are the key properties of 2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid?
2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid has a molecular weight of 279.06 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117447207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).