3-bromo-5-phenoxybenzoic acid

C13H9BrO3 — CID 102823557

IUPAC3-bromo-5-phenoxybenzoic acid
SMILESO=C(O)c1cc(Br)cc(Oc2ccccc2)c1
InChIInChI=1S/C13H9BrO3/c14-10-6-9(13(15)16)7-12(8-10)17-11-4-2-1-3-5-11/h1-8H,(H,15,16)
InChIKeyHXZRRRZGOLINKN-UHFFFAOYSA-N
MW293.12 g/mol
LogP3.94
Rot. Bonds3

About 3-bromo-5-phenoxybenzoic acid

3-bromo-5-phenoxybenzoic acid (PubChem CID 102823557) has the molecular formula C13H9BrO3 and a molecular weight of 293.12 g/mol. Its IUPAC name is 3-bromo-5-phenoxybenzoic acid.

Molecular Properties

Compound Name3-bromo-5-phenoxybenzoic acid
PubChem CID102823557
Molecular FormulaC13H9BrO3
Molecular Weight293.12 g/mol
Exact Mass291.97
IUPAC Name3-bromo-5-phenoxybenzoic acid
SMILESO=C(O)c1cc(Br)cc(Oc2ccccc2)c1
InChIInChI=1S/C13H9BrO3/c14-10-6-9(13(15)16)7-12(8-10)17-11-4-2-1-3-5-11/h1-8H,(H,15,16)
InChIKeyHXZRRRZGOLINKN-UHFFFAOYSA-N
XLogP3.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-(4-bromophenoxy)benzoic acid
CID 102823551
3-iodo-5-phenoxybenzoic acid
CID 139966945
3-bromo-5-[(5-bromo-3-pyridinyl)oxy]benzoic acid
CID 102823683
3-(3-bromo-5-fluorophenoxy)benzoic acid
CID 81332139
3-bromo-5-(2-nitrophenoxy)benzoic acid
CID 102823646
3-bromo-5-(5-bromo-2-methylphenoxy)benzoic acid
CID 107286518
3-bromo-5-[(2-methylpropan-2-yl)oxy]benzoic acid
CID 102823596
3-bromo-5-(3-fluoro-4-nitrophenoxy)benzoic acid
CID 102823670
4-phenoxybenzoic acid;hydrochloride
CID 70385625
3-bromo-5-(2-bromo-3-nitrophenoxy)benzoic acid
CID 102823732
[3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone
CID 22494542
(4-bromophenyl)-(4-phenoxyphenyl)methanone
CID 139928353

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-phenoxybenzoic acid?
The IUPAC name of 3-bromo-5-phenoxybenzoic acid (CID 102823557) is 3-bromo-5-phenoxybenzoic acid.
What is the SMILES notation for 3-bromo-5-phenoxybenzoic acid?
The canonical SMILES for 3-bromo-5-phenoxybenzoic acid is O=C(O)c1cc(Br)cc(Oc2ccccc2)c1.
What is the InChIKey of 3-bromo-5-phenoxybenzoic acid?
The InChIKey is HXZRRRZGOLINKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO3/c14-10-6-9(13(15)16)7-12(8-10)17-11-4-2-1-3-5-11/h1-8H,(H,15,16).
What are the key properties of 3-bromo-5-phenoxybenzoic acid?
3-bromo-5-phenoxybenzoic acid has a molecular weight of 293.12 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-phenoxybenzoic acid is sourced from PubChem (CID 102823557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).