3-bromo-5-(4-bromophenoxy)benzoic acid

C13H8Br2O3 — CID 102823551

IUPAC3-bromo-5-(4-bromophenoxy)benzoic acid
SMILESO=C(O)c1cc(Br)cc(Oc2ccc(Br)cc2)c1
InChIInChI=1S/C13H8Br2O3/c14-9-1-3-11(4-2-9)18-12-6-8(13(16)17)5-10(15)7-12/h1-7H,(H,16,17)
InChIKeyFMFBUNVTWNMRBS-UHFFFAOYSA-N
MW372.01 g/mol
LogP4.70
Rot. Bonds3

About 3-bromo-5-(4-bromophenoxy)benzoic acid

3-bromo-5-(4-bromophenoxy)benzoic acid (PubChem CID 102823551) has the molecular formula C13H8Br2O3 and a molecular weight of 372.01 g/mol. Its IUPAC name is 3-bromo-5-(4-bromophenoxy)benzoic acid.

Molecular Properties

Compound Name3-bromo-5-(4-bromophenoxy)benzoic acid
PubChem CID102823551
Molecular FormulaC13H8Br2O3
Molecular Weight372.01 g/mol
Exact Mass369.88
IUPAC Name3-bromo-5-(4-bromophenoxy)benzoic acid
SMILESO=C(O)c1cc(Br)cc(Oc2ccc(Br)cc2)c1
InChIInChI=1S/C13H8Br2O3/c14-9-1-3-11(4-2-9)18-12-6-8(13(16)17)5-10(15)7-12/h1-7H,(H,16,17)
InChIKeyFMFBUNVTWNMRBS-UHFFFAOYSA-N
XLogP4.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.01
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-phenoxybenzoic acid
CID 102823557
3-bromo-5-[(5-bromo-3-pyridinyl)oxy]benzoic acid
CID 102823683
3-bromo-5-(5-bromo-2-methylphenoxy)benzoic acid
CID 107286518
3-bromo-5-(3-fluoro-4-nitrophenoxy)benzoic acid
CID 102823670
3-amino-5-[4-(3-amino-5-carboxyphenoxy)phenoxy]benzoic acid
CID 139816364
1,3,5-tris(4-bromophenoxy)benzene
CID 102025054
3-bromo-5-[(2-methylpropan-2-yl)oxy]benzoic acid
CID 102823596
CID 173009795
CID 173009795
3-(3-bromo-5-fluorophenoxy)benzoic acid
CID 81332139
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
1-bromo-4-(4-bromophenoxy)benzene
CID 16305
3-bromo-5-(2-nitrophenoxy)benzoic acid
CID 102823646

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-bromophenoxy)benzoic acid?
The IUPAC name of 3-bromo-5-(4-bromophenoxy)benzoic acid (CID 102823551) is 3-bromo-5-(4-bromophenoxy)benzoic acid.
What is the SMILES notation for 3-bromo-5-(4-bromophenoxy)benzoic acid?
The canonical SMILES for 3-bromo-5-(4-bromophenoxy)benzoic acid is O=C(O)c1cc(Br)cc(Oc2ccc(Br)cc2)c1.
What is the InChIKey of 3-bromo-5-(4-bromophenoxy)benzoic acid?
The InChIKey is FMFBUNVTWNMRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2O3/c14-9-1-3-11(4-2-9)18-12-6-8(13(16)17)5-10(15)7-12/h1-7H,(H,16,17).
What are the key properties of 3-bromo-5-(4-bromophenoxy)benzoic acid?
3-bromo-5-(4-bromophenoxy)benzoic acid has a molecular weight of 372.01 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-bromophenoxy)benzoic acid is sourced from PubChem (CID 102823551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).