2-(3-bromo-4-hydroxy-2-methylphenyl)acetic acid

C9H9BrO3 — CID 84802752

IUPAC2-(3-bromo-4-hydroxy-2-methylphenyl)acetic acid
SMILESCc1c(CC(=O)O)ccc(O)c1Br
InChIInChI=1S/C9H9BrO3/c1-5-6(4-8(12)13)2-3-7(11)9(5)10/h2-3,11H,4H2,1H3,(H,12,13)
InChIKeyIVVOQKQHYYKIOA-UHFFFAOYSA-N
MW245.07 g/mol
LogP2.09
Rot. Bonds2

About 2-(3-bromo-4-hydroxy-2-methylphenyl)acetic acid

2-(3-bromo-4-hydroxy-2-methylphenyl)acetic acid (PubChem CID 84802752) has the molecular formula C9H9BrO3 and a molecular weight of 245.07 g/mol. Its IUPAC name is 2-(3-bromo-4-hydroxy-2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-4-hydroxy-2-methylphenyl)acetic acid
PubChem CID84802752
Molecular FormulaC9H9BrO3
Molecular Weight245.07 g/mol
Exact Mass243.97
IUPAC Name2-(3-bromo-4-hydroxy-2-methylphenyl)acetic acid
SMILESCc1c(CC(=O)O)ccc(O)c1Br
InChIInChI=1S/C9H9BrO3/c1-5-6(4-8(12)13)2-3-7(11)9(5)10/h2-3,11H,4H2,1H3,(H,12,13)
InChIKeyIVVOQKQHYYKIOA-UHFFFAOYSA-N
XLogP2.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-2-bromo-3-methylphenol
CID 84784548
2-(2-bromo-3,4-dihydroxyphenyl)acetic acid
CID 54776284
2-bromo-4-[(hydroxyamino)methyl]-3-methylphenol
CID 84795166
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
2-(4-chloro-2,3-dimethylphenyl)acetic acid
CID 66771246
2-(4-bromo-2-iodo-3-methylphenyl)acetic acid
CID 171000935
2-(2-bromo-6-hydroxy-3-methoxyphenyl)acetic acid
CID 84806650
2-(6-bromo-2,3-dimethylphenyl)acetic acid
CID 84703622
2-(3-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
CID 83900309
2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid
CID 83901744
3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid
CID 84709646
2-bromo-4-methoxy-3-methylphenol
CID 54571766

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-hydroxy-2-methylphenyl)acetic acid?
The IUPAC name of 2-(3-bromo-4-hydroxy-2-methylphenyl)acetic acid (CID 84802752) is 2-(3-bromo-4-hydroxy-2-methylphenyl)acetic acid.
What is the SMILES notation for 2-(3-bromo-4-hydroxy-2-methylphenyl)acetic acid?
The canonical SMILES for 2-(3-bromo-4-hydroxy-2-methylphenyl)acetic acid is Cc1c(CC(=O)O)ccc(O)c1Br.
What is the InChIKey of 2-(3-bromo-4-hydroxy-2-methylphenyl)acetic acid?
The InChIKey is IVVOQKQHYYKIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO3/c1-5-6(4-8(12)13)2-3-7(11)9(5)10/h2-3,11H,4H2,1H3,(H,12,13).
What are the key properties of 2-(3-bromo-4-hydroxy-2-methylphenyl)acetic acid?
2-(3-bromo-4-hydroxy-2-methylphenyl)acetic acid has a molecular weight of 245.07 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-hydroxy-2-methylphenyl)acetic acid is sourced from PubChem (CID 84802752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).