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

C14H10BrClO4 — CID 104706931

IUPAC2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid
SMILESCOc1ccc(Oc2ccc(Cl)cc2C(=O)O)c(Br)c1
InChIInChI=1S/C14H10BrClO4/c1-19-9-3-5-13(11(15)7-9)20-12-4-2-8(16)6-10(12)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyWIEKJMZLOCEVTF-UHFFFAOYSA-N
MW357.59 g/mol
LogP4.60
Rot. Bonds4

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

2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid (PubChem CID 104706931) has the molecular formula C14H10BrClO4 and a molecular weight of 357.59 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid
PubChem CID104706931
Molecular FormulaC14H10BrClO4
Molecular Weight357.59 g/mol
Exact Mass355.95
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid
SMILESCOc1ccc(Oc2ccc(Cl)cc2C(=O)O)c(Br)c1
InChIInChI=1S/C14H10BrClO4/c1-19-9-3-5-13(11(15)7-9)20-12-4-2-8(16)6-10(12)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyWIEKJMZLOCEVTF-UHFFFAOYSA-N
XLogP4.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.59
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-methylphenoxy)-5-chlorobenzoic acid
CID 63461818
4-bromo-2-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104707938
2-amino-5-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104708170
4-(2-bromo-4-chlorophenoxy)-2-methylbenzoic acid
CID 63534811
2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline
CID 113443527
2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxybenzoic acid
CID 114838080
2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063613
2-[(3-bromo-4-pyridinyl)oxy]-5-chlorobenzoic acid
CID 113452226
2-(2,5-dichlorophenoxy)-4-methoxybenzoic acid
CID 81309612
1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone
CID 104707843
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid
CID 63459250
5-chloro-2-(4-iodophenoxy)benzoic acid
CID 63459076

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid (CID 104706931) is 2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid is COc1ccc(Oc2ccc(Cl)cc2C(=O)O)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid?
The InChIKey is WIEKJMZLOCEVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO4/c1-19-9-3-5-13(11(15)7-9)20-12-4-2-8(16)6-10(12)14(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid?
2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid has a molecular weight of 357.59 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid is sourced from PubChem (CID 104706931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).