2-(2-bromo-5-hydroxyphenyl)acetic acid

C8H7BrO3 — CID 57257821

IUPAC2-(2-bromo-5-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1cc(O)ccc1Br
InChIInChI=1S/C8H7BrO3/c9-7-2-1-6(10)3-5(7)4-8(11)12/h1-3,10H,4H2,(H,11,12)
InChIKeyWCBUBZGDTNZFLD-UHFFFAOYSA-N
MW231.04 g/mol
LogP1.78
Rot. Bonds2

About 2-(2-bromo-5-hydroxyphenyl)acetic acid

2-(2-bromo-5-hydroxyphenyl)acetic acid (PubChem CID 57257821) has the molecular formula C8H7BrO3 and a molecular weight of 231.04 g/mol. Its IUPAC name is 2-(2-bromo-5-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-5-hydroxyphenyl)acetic acid
PubChem CID57257821
Molecular FormulaC8H7BrO3
Molecular Weight231.04 g/mol
Exact Mass229.96
IUPAC Name2-(2-bromo-5-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1cc(O)ccc1Br
InChIInChI=1S/C8H7BrO3/c9-7-2-1-6(10)3-5(7)4-8(11)12/h1-3,10H,4H2,(H,11,12)
InChIKeyWCBUBZGDTNZFLD-UHFFFAOYSA-N
XLogP1.78
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-(carboxymethyl)benzoic acid
CID 91882195
2-[(2-bromo-5-hydroxyphenyl)methyl-propylamino]acetic acid
CID 122040276
CID 89164400
CID 89164400
2-(2-bromo-5-cyanophenyl)acetic acid
CID 91882194
2-(2-bromo-5-cyclopropylphenyl)acetic acid
CID 68804800
2-(2,4,5-tribromophenyl)acetic acid
CID 119010967
2-[2-(ethoxymethyl)-4-hydroxyphenyl]acetic acid
CID 141078685
4-bromo-3-prop-2-enylphenol
CID 59860912
4-bromo-3-(3-hydroxypropyl)phenol
CID 66845048
(3S)-3-amino-3-(2-bromo-5-hydroxyphenyl)propanoic acid
CID 130706996
4-bromo-3-(2-hydroxypropyl)phenol
CID 117333494
2-(5-hydroxy-2-iodooxyphenyl)acetic acid
CID 174312460

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(2-bromo-5-hydroxyphenyl)acetic acid (CID 57257821) is 2-(2-bromo-5-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-bromo-5-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(2-bromo-5-hydroxyphenyl)acetic acid is O=C(O)Cc1cc(O)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-hydroxyphenyl)acetic acid?
The InChIKey is WCBUBZGDTNZFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO3/c9-7-2-1-6(10)3-5(7)4-8(11)12/h1-3,10H,4H2,(H,11,12).
What are the key properties of 2-(2-bromo-5-hydroxyphenyl)acetic acid?
2-(2-bromo-5-hydroxyphenyl)acetic acid has a molecular weight of 231.04 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-hydroxyphenyl)acetic acid is sourced from PubChem (CID 57257821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).