2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid

C13H7BrCl2O3 — CID 63459250

IUPAC2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid
SMILESO=C(O)c1cc(Cl)ccc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C13H7BrCl2O3/c14-7-1-3-12(10(16)5-7)19-11-4-2-8(15)6-9(11)13(17)18/h1-6H,(H,17,18)
InChIKeyVILFRPGOLMUULX-UHFFFAOYSA-N
MW362.01 g/mol
LogP5.25
Rot. Bonds3

About 2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid

2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid (PubChem CID 63459250) has the molecular formula C13H7BrCl2O3 and a molecular weight of 362.01 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid
PubChem CID63459250
Molecular FormulaC13H7BrCl2O3
Molecular Weight362.01 g/mol
Exact Mass359.90
IUPAC Name2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid
SMILESO=C(O)c1cc(Cl)ccc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C13H7BrCl2O3/c14-7-1-3-12(10(16)5-7)19-11-4-2-8(15)6-9(11)13(17)18/h1-6H,(H,17,18)
InChIKeyVILFRPGOLMUULX-UHFFFAOYSA-N
XLogP5.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.01
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731
5-amino-2-(2,4-dichlorophenoxy)benzoic acid
CID 54888100
2-amino-5-(2,4-dichlorophenoxy)terephthalic acid
CID 771613
5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid
CID 113434920
4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid
CID 43364863
5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid
CID 114896165
1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone
CID 28880169
2-(2-bromo-4-methylphenoxy)-5-chlorobenzoic acid
CID 63461818
2-(4-bromo-2-chlorophenoxy)-6-chloropyridine-3-carboxylic acid
CID 63376889
3-(4-bromo-2-chlorophenoxy)-2-nitrobenzoic acid
CID 115541000
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzaldehyde
CID 114844783
2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid
CID 104706931

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid (CID 63459250) is 2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid is O=C(O)c1cc(Cl)ccc1Oc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid?
The InChIKey is VILFRPGOLMUULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2O3/c14-7-1-3-12(10(16)5-7)19-11-4-2-8(15)6-9(11)13(17)18/h1-6H,(H,17,18).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid?
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid has a molecular weight of 362.01 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid is sourced from PubChem (CID 63459250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).