2-(3-bromo-5-fluoro-2-hydroxy-4-methoxyphenyl)acetic acid

C9H8BrFO4 — CID 84811493

IUPAC2-(3-bromo-5-fluoro-2-hydroxy-4-methoxyphenyl)acetic acid
SMILESCOc1c(F)cc(CC(=O)O)c(O)c1Br
InChIInChI=1S/C9H8BrFO4/c1-15-9-5(11)2-4(3-6(12)13)8(14)7(9)10/h2,14H,3H2,1H3,(H,12,13)
InChIKeyFPPPXJFXZDBDDH-UHFFFAOYSA-N
MW279.06 g/mol
LogP1.93
Rot. Bonds3

About 2-(3-bromo-5-fluoro-2-hydroxy-4-methoxyphenyl)acetic acid

2-(3-bromo-5-fluoro-2-hydroxy-4-methoxyphenyl)acetic acid (PubChem CID 84811493) has the molecular formula C9H8BrFO4 and a molecular weight of 279.06 g/mol. Its IUPAC name is 2-(3-bromo-5-fluoro-2-hydroxy-4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-5-fluoro-2-hydroxy-4-methoxyphenyl)acetic acid
PubChem CID84811493
Molecular FormulaC9H8BrFO4
Molecular Weight279.06 g/mol
Exact Mass277.96
IUPAC Name2-(3-bromo-5-fluoro-2-hydroxy-4-methoxyphenyl)acetic acid
SMILESCOc1c(F)cc(CC(=O)O)c(O)c1Br
InChIInChI=1S/C9H8BrFO4/c1-15-9-5(11)2-4(3-6(12)13)8(14)7(9)10/h2,14H,3H2,1H3,(H,12,13)
InChIKeyFPPPXJFXZDBDDH-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid
CID 117472876
4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol
CID 84811292
2-(3-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
CID 83900309
2-bromo-6-ethyl-3,4-dimethoxyphenol
CID 84710445
2-(3-bromo-2,4-dimethoxy-5-methylphenyl)acetic acid
CID 117466785
2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
CID 83900317
1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117490447
3-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)propanoic acid
CID 117492104
1-(4-bromo-6-fluoro-2-hydroxy-3-methoxyphenyl)propan-2-one
CID 84714597
1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine
CID 117474393
2-(5-bromo-3-fluoro-2,4-dihydroxyphenyl)acetic acid
CID 84807500
2-(3,4-dichloro-5-fluoro-2-hydroxyphenyl)acetic acid
CID 83898337

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluoro-2-hydroxy-4-methoxyphenyl)acetic acid?
The IUPAC name of 2-(3-bromo-5-fluoro-2-hydroxy-4-methoxyphenyl)acetic acid (CID 84811493) is 2-(3-bromo-5-fluoro-2-hydroxy-4-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-bromo-5-fluoro-2-hydroxy-4-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(3-bromo-5-fluoro-2-hydroxy-4-methoxyphenyl)acetic acid is COc1c(F)cc(CC(=O)O)c(O)c1Br.
What is the InChIKey of 2-(3-bromo-5-fluoro-2-hydroxy-4-methoxyphenyl)acetic acid?
The InChIKey is FPPPXJFXZDBDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO4/c1-15-9-5(11)2-4(3-6(12)13)8(14)7(9)10/h2,14H,3H2,1H3,(H,12,13).
What are the key properties of 2-(3-bromo-5-fluoro-2-hydroxy-4-methoxyphenyl)acetic acid?
2-(3-bromo-5-fluoro-2-hydroxy-4-methoxyphenyl)acetic acid has a molecular weight of 279.06 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluoro-2-hydroxy-4-methoxyphenyl)acetic acid is sourced from PubChem (CID 84811493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).