2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid

C9H9BrO4 — CID 69148385

IUPAC2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1ccc(Br)c(C(O)C(=O)O)c1
InChIInChI=1S/C9H9BrO4/c1-14-5-2-3-7(10)6(4-5)8(11)9(12)13/h2-4,8,11H,1H3,(H,12,13)
InChIKeyWFMCJUWBUZMQHO-UHFFFAOYSA-N
MW261.07 g/mol
LogP1.58
Rot. Bonds3

About 2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid

2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid (PubChem CID 69148385) has the molecular formula C9H9BrO4 and a molecular weight of 261.07 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
PubChem CID69148385
Molecular FormulaC9H9BrO4
Molecular Weight261.07 g/mol
Exact Mass259.97
IUPAC Name2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1ccc(Br)c(C(O)C(=O)O)c1
InChIInChI=1S/C9H9BrO4/c1-14-5-2-3-7(10)6(4-5)8(11)9(12)13/h2-4,8,11H,1H3,(H,12,13)
InChIKeyWFMCJUWBUZMQHO-UHFFFAOYSA-N
XLogP1.58
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 131437530
2-(2-bromo-5-methoxyphenyl)-2-hydroxy-1-phenylethanone
CID 150726546
(2R)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid
CID 124681138
(2S)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid
CID 124681142
2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid
CID 175669181
3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171869396
(R)-(2-bromo-5-methoxyphenyl)-phenylmethanol
CID 124575991
2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid
CID 82623810
(1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol
CID 130969127
2-[2-(3-chloro-2-oxopropyl)-5-methoxyphenyl]-2-hydroxyacetic acid
CID 134657665
2-(4-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117443520
3-bromo-1-(2-bromo-5-methoxyphenyl)propane-1,2-diol
CID 171861209

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid (CID 69148385) is 2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid is COc1ccc(Br)c(C(O)C(=O)O)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid?
The InChIKey is WFMCJUWBUZMQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO4/c1-14-5-2-3-7(10)6(4-5)8(11)9(12)13/h2-4,8,11H,1H3,(H,12,13).
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid?
2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid has a molecular weight of 261.07 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 69148385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).