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

C14H10BrClO3 — CID 63461818

IUPAC2-(2-bromo-4-methylphenoxy)-5-chlorobenzoic acid
SMILESCc1ccc(Oc2ccc(Cl)cc2C(=O)O)c(Br)c1
InChIInChI=1S/C14H10BrClO3/c1-8-2-4-13(11(15)6-8)19-12-5-3-9(16)7-10(12)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyLFJULWPBIASXLZ-UHFFFAOYSA-N
MW341.59 g/mol
LogP4.90
Rot. Bonds3

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

2-(2-bromo-4-methylphenoxy)-5-chlorobenzoic acid (PubChem CID 63461818) has the molecular formula C14H10BrClO3 and a molecular weight of 341.59 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-5-chlorobenzoic acid.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-5-chlorobenzoic acid
PubChem CID63461818
Molecular FormulaC14H10BrClO3
Molecular Weight341.59 g/mol
Exact Mass339.95
IUPAC Name2-(2-bromo-4-methylphenoxy)-5-chlorobenzoic acid
SMILESCc1ccc(Oc2ccc(Cl)cc2C(=O)O)c(Br)c1
InChIInChI=1S/C14H10BrClO3/c1-8-2-4-13(11(15)6-8)19-12-5-3-9(16)7-10(12)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyLFJULWPBIASXLZ-UHFFFAOYSA-N
XLogP4.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid
CID 104706931
2-(2-bromo-4-methylphenoxy)-4-methylbenzoic acid
CID 63513152
5-amino-2-(2-bromo-4-methylphenoxy)benzoic acid
CID 54888290
2-(2-bromo-4-methylphenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76944539
5-chloro-2-(2,3,5-trimethylphenoxy)benzoic acid
CID 63459993
2-[(3-bromo-4-pyridinyl)oxy]-5-chlorobenzoic acid
CID 113452226
2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorobenzoic acid
CID 107540684
4-(2-bromo-4-chlorophenoxy)-2-methylbenzoic acid
CID 63534811
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid
CID 63459250
2-(2-bromo-4-methylphenoxy)-4-chloroaniline
CID 113315875
2-bromo-4-(2-bromo-4-chlorophenoxy)-3-fluorobenzoic acid
CID 107540645
2-(2-bromo-4-chlorophenoxy)-5-methylaniline
CID 43349571

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-5-chlorobenzoic acid?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-5-chlorobenzoic acid (CID 63461818) is 2-(2-bromo-4-methylphenoxy)-5-chlorobenzoic acid.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-5-chlorobenzoic acid?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-5-chlorobenzoic acid is Cc1ccc(Oc2ccc(Cl)cc2C(=O)O)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-5-chlorobenzoic acid?
The InChIKey is LFJULWPBIASXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO3/c1-8-2-4-13(11(15)6-8)19-12-5-3-9(16)7-10(12)14(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-5-chlorobenzoic acid?
2-(2-bromo-4-methylphenoxy)-5-chlorobenzoic acid has a molecular weight of 341.59 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-5-chlorobenzoic acid is sourced from PubChem (CID 63461818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).