3-bromo-2-(2-hydroxyethoxy)benzoic acid

C9H9BrO4 — CID 61391225

IUPAC3-bromo-2-(2-hydroxyethoxy)benzoic acid
SMILESO=C(O)c1cccc(Br)c1OCCO
InChIInChI=1S/C9H9BrO4/c10-7-3-1-2-6(9(12)13)8(7)14-5-4-11/h1-3,11H,4-5H2,(H,12,13)
InChIKeyJWCWWTHKCUIKRZ-UHFFFAOYSA-N
MW261.07 g/mol
LogP1.52
Rot. Bonds4

About 3-bromo-2-(2-hydroxyethoxy)benzoic acid

3-bromo-2-(2-hydroxyethoxy)benzoic acid (PubChem CID 61391225) has the molecular formula C9H9BrO4 and a molecular weight of 261.07 g/mol. Its IUPAC name is 3-bromo-2-(2-hydroxyethoxy)benzoic acid.

Molecular Properties

Compound Name3-bromo-2-(2-hydroxyethoxy)benzoic acid
PubChem CID61391225
Molecular FormulaC9H9BrO4
Molecular Weight261.07 g/mol
Exact Mass259.97
IUPAC Name3-bromo-2-(2-hydroxyethoxy)benzoic acid
SMILESO=C(O)c1cccc(Br)c1OCCO
InChIInChI=1S/C9H9BrO4/c10-7-3-1-2-6(9(12)13)8(7)14-5-4-11/h1-3,11H,4-5H2,(H,12,13)
InChIKeyJWCWWTHKCUIKRZ-UHFFFAOYSA-N
XLogP1.52
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-(3-methoxypropoxy)benzoic acid
CID 61391132
3-bromo-2-(4,4,4-trifluorobutoxy)benzoic acid
CID 113326440
2,3-bis(2-hydroxyethoxy)terephthalic acid
CID 18003835
3-bromo-2-(2-butoxyethoxy)benzoic acid
CID 54956549
3-bromo-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzoic acid
CID 61490443
3-bromo-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 61391092
3-bromo-2-[(4-iodophenyl)methoxy]benzoic acid
CID 65478431
5-bromonaphthalene-1-carboxylic acid;(5-bromonaphthalen-1-yl)methanol
CID 158385324
3-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid
CID 103002882
3-bromo-2-[(2-methylphenyl)methoxy]benzoic acid
CID 61391214
3-bromo-2-[(2,3-dichlorophenyl)methoxy]benzoic acid
CID 107306555
3-bromo-2-(cyclopropylmethoxymethoxy)benzoic acid
CID 106929648

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-hydroxyethoxy)benzoic acid?
The IUPAC name of 3-bromo-2-(2-hydroxyethoxy)benzoic acid (CID 61391225) is 3-bromo-2-(2-hydroxyethoxy)benzoic acid.
What is the SMILES notation for 3-bromo-2-(2-hydroxyethoxy)benzoic acid?
The canonical SMILES for 3-bromo-2-(2-hydroxyethoxy)benzoic acid is O=C(O)c1cccc(Br)c1OCCO.
What is the InChIKey of 3-bromo-2-(2-hydroxyethoxy)benzoic acid?
The InChIKey is JWCWWTHKCUIKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO4/c10-7-3-1-2-6(9(12)13)8(7)14-5-4-11/h1-3,11H,4-5H2,(H,12,13).
What are the key properties of 3-bromo-2-(2-hydroxyethoxy)benzoic acid?
3-bromo-2-(2-hydroxyethoxy)benzoic acid has a molecular weight of 261.07 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-hydroxyethoxy)benzoic acid is sourced from PubChem (CID 61391225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).