3-bromo-5-(5-bromo-2-methylphenoxy)benzoic acid

C14H10Br2O3 — CID 107286518

IUPAC3-bromo-5-(5-bromo-2-methylphenoxy)benzoic acid
SMILESCc1ccc(Br)cc1Oc1cc(Br)cc(C(=O)O)c1
InChIInChI=1S/C14H10Br2O3/c1-8-2-3-10(15)7-13(8)19-12-5-9(14(17)18)4-11(16)6-12/h2-7H,1H3,(H,17,18)
InChIKeySSHRMECIIRRDMC-UHFFFAOYSA-N
MW386.04 g/mol
LogP5.01
Rot. Bonds3

About 3-bromo-5-(5-bromo-2-methylphenoxy)benzoic acid

3-bromo-5-(5-bromo-2-methylphenoxy)benzoic acid (PubChem CID 107286518) has the molecular formula C14H10Br2O3 and a molecular weight of 386.04 g/mol. Its IUPAC name is 3-bromo-5-(5-bromo-2-methylphenoxy)benzoic acid.

Molecular Properties

Compound Name3-bromo-5-(5-bromo-2-methylphenoxy)benzoic acid
PubChem CID107286518
Molecular FormulaC14H10Br2O3
Molecular Weight386.04 g/mol
Exact Mass383.90
IUPAC Name3-bromo-5-(5-bromo-2-methylphenoxy)benzoic acid
SMILESCc1ccc(Br)cc1Oc1cc(Br)cc(C(=O)O)c1
InChIInChI=1S/C14H10Br2O3/c1-8-2-3-10(15)7-13(8)19-12-5-9(14(17)18)4-11(16)6-12/h2-7H,1H3,(H,17,18)
InChIKeySSHRMECIIRRDMC-UHFFFAOYSA-N
XLogP5.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.04
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-(4-bromophenoxy)benzoic acid
CID 102823551
2-(5-bromo-2-methylphenoxy)-6-methylpyridine-4-carboxylic acid
CID 107283603
3-bromo-5-phenoxybenzoic acid
CID 102823557
3-bromo-5-[(5-methyl-1H-pyrazol-3-yl)oxy]benzoic acid
CID 102823704
3-bromo-5-(2-nitrophenoxy)benzoic acid
CID 102823646
3-bromo-5-[(2-methylpropan-2-yl)oxy]benzoic acid
CID 102823596
4-(2,5-dimethylphenoxy)benzoic acid
CID 22684928
4-bromo-2-(5-fluoro-2-methylphenoxy)benzoic acid
CID 102987538
3-bromo-5-(2-bromo-3-nitrophenoxy)benzoic acid
CID 102823732
2-[3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]acetic acid
CID 21079732
3-bromo-5-[(5-bromo-3-pyridinyl)oxy]benzoic acid
CID 102823683
1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]ethanone
CID 107284752

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(5-bromo-2-methylphenoxy)benzoic acid?
The IUPAC name of 3-bromo-5-(5-bromo-2-methylphenoxy)benzoic acid (CID 107286518) is 3-bromo-5-(5-bromo-2-methylphenoxy)benzoic acid.
What is the SMILES notation for 3-bromo-5-(5-bromo-2-methylphenoxy)benzoic acid?
The canonical SMILES for 3-bromo-5-(5-bromo-2-methylphenoxy)benzoic acid is Cc1ccc(Br)cc1Oc1cc(Br)cc(C(=O)O)c1.
What is the InChIKey of 3-bromo-5-(5-bromo-2-methylphenoxy)benzoic acid?
The InChIKey is SSHRMECIIRRDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2O3/c1-8-2-3-10(15)7-13(8)19-12-5-9(14(17)18)4-11(16)6-12/h2-7H,1H3,(H,17,18).
What are the key properties of 3-bromo-5-(5-bromo-2-methylphenoxy)benzoic acid?
3-bromo-5-(5-bromo-2-methylphenoxy)benzoic acid has a molecular weight of 386.04 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(5-bromo-2-methylphenoxy)benzoic acid is sourced from PubChem (CID 107286518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).