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

C9H9BrO5 — CID 117443520

IUPAC2-(4-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1c(Br)ccc(C(O)C(=O)O)c1O
InChIInChI=1S/C9H9BrO5/c1-15-8-5(10)3-2-4(6(8)11)7(12)9(13)14/h2-3,7,11-12H,1H3,(H,13,14)
InChIKeyBCLJNAKCJBJROL-UHFFFAOYSA-N
MW277.07 g/mol
LogP1.28
Rot. Bonds3

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

2-(4-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid (PubChem CID 117443520) has the molecular formula C9H9BrO5 and a molecular weight of 277.07 g/mol. Its IUPAC name is 2-(4-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(4-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
PubChem CID117443520
Molecular FormulaC9H9BrO5
Molecular Weight277.07 g/mol
Exact Mass275.96
IUPAC Name2-(4-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1c(Br)ccc(C(O)C(=O)O)c1O
InChIInChI=1S/C9H9BrO5/c1-15-8-5(10)3-2-4(6(8)11)7(12)9(13)14/h2-3,7,11-12H,1H3,(H,13,14)
InChIKeyBCLJNAKCJBJROL-UHFFFAOYSA-N
XLogP1.28
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.07
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
CID 117328303
2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117447207
2-(5-bromo-4-fluoro-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117475568
2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetic acid
CID 117470010
(2S)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid
CID 131510376
(2R)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid
CID 131393166
(2S)-2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 131437530
2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 69148385
2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117310475
2-(5-chloro-4-fluoro-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117379954
2-[3-(2-bromopropanoyl)-2-methoxyphenyl]-2-hydroxyacetic acid
CID 134657636
2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117331953

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(4-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid (CID 117443520) is 2-(4-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(4-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(4-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid is COc1c(Br)ccc(C(O)C(=O)O)c1O.
What is the InChIKey of 2-(4-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid?
The InChIKey is BCLJNAKCJBJROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO5/c1-15-8-5(10)3-2-4(6(8)11)7(12)9(13)14/h2-3,7,11-12H,1H3,(H,13,14).
What are the key properties of 2-(4-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid?
2-(4-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid has a molecular weight of 277.07 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117443520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).