2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid

C14H10BrClO3 — CID 107282511

IUPAC2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid
SMILESCc1ccc(Oc2ccc(C(=O)O)c(Br)c2)c(Cl)c1
InChIInChI=1S/C14H10BrClO3/c1-8-2-5-13(12(16)6-8)19-9-3-4-10(14(17)18)11(15)7-9/h2-7H,1H3,(H,17,18)
InChIKeySXVJXJHPYWFWGA-UHFFFAOYSA-N
MW341.59 g/mol
LogP4.90
Rot. Bonds3

About 2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid

2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid (PubChem CID 107282511) has the molecular formula C14H10BrClO3 and a molecular weight of 341.59 g/mol. Its IUPAC name is 2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid.

Molecular Properties

Compound Name2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid
PubChem CID107282511
Molecular FormulaC14H10BrClO3
Molecular Weight341.59 g/mol
Exact Mass339.95
IUPAC Name2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid
SMILESCc1ccc(Oc2ccc(C(=O)O)c(Br)c2)c(Cl)c1
InChIInChI=1S/C14H10BrClO3/c1-8-2-5-13(12(16)6-8)19-9-3-4-10(14(17)18)11(15)7-9/h2-7H,1H3,(H,17,18)
InChIKeySXVJXJHPYWFWGA-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

Analyze 2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-(2-chloro-5-methylphenoxy)benzoic acid
CID 107282496
2-bromo-4-(2,4-dimethylphenoxy)benzoic acid
CID 107282422
2-bromo-4-(2-fluoro-5-methylphenoxy)benzoic acid
CID 107282560
2-bromo-4-(2-chloro-4-methylphenoxy)benzenecarbothioamide
CID 107278376
2-bromo-4-(2-chloro-4-nitrophenoxy)benzoic acid
CID 107282520
5-(2-chloro-4-methylphenoxy)-2-nitrobenzoic acid
CID 18336652
1-[2-amino-5-(2-chloro-4-methylphenoxy)phenyl]ethanone
CID 104613311
2-bromo-4-(2-methoxyphenoxy)benzoic acid
CID 107282440
2-bromo-4-methylbenzoic acid;ethane
CID 143170535
2-(2-bromo-4-methylphenoxy)-4-methylbenzoic acid
CID 63513152
2-(4-methoxyphenoxy)-4-methylbenzoic acid
CID 55107428
2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid
CID 63515238

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid?
The IUPAC name of 2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid (CID 107282511) is 2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid.
What is the SMILES notation for 2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid?
The canonical SMILES for 2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid is Cc1ccc(Oc2ccc(C(=O)O)c(Br)c2)c(Cl)c1.
What is the InChIKey of 2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid?
The InChIKey is SXVJXJHPYWFWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO3/c1-8-2-5-13(12(16)6-8)19-9-3-4-10(14(17)18)11(15)7-9/h2-7H,1H3,(H,17,18).
What are the key properties of 2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid?
2-bromo-4-(2-chloro-4-methylphenoxy)benzoic 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-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid is sourced from PubChem (CID 107282511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).