2-(4-bromophenoxy)-4-chlorobenzoic acid

C13H8BrClO3 — CID 55225362

IUPAC2-(4-bromophenoxy)-4-chlorobenzoic acid
SMILESO=C(O)c1ccc(Cl)cc1Oc1ccc(Br)cc1
InChIInChI=1S/C13H8BrClO3/c14-8-1-4-10(5-2-8)18-12-7-9(15)3-6-11(12)13(16)17/h1-7H,(H,16,17)
InChIKeyATWADCXKVKDQJY-UHFFFAOYSA-N
MW327.56 g/mol
LogP4.59
Rot. Bonds3

About 2-(4-bromophenoxy)-4-chlorobenzoic acid

2-(4-bromophenoxy)-4-chlorobenzoic acid (PubChem CID 55225362) has the molecular formula C13H8BrClO3 and a molecular weight of 327.56 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-4-chlorobenzoic acid.

Molecular Properties

Compound Name2-(4-bromophenoxy)-4-chlorobenzoic acid
PubChem CID55225362
Molecular FormulaC13H8BrClO3
Molecular Weight327.56 g/mol
Exact Mass325.93
IUPAC Name2-(4-bromophenoxy)-4-chlorobenzoic acid
SMILESO=C(O)c1ccc(Cl)cc1Oc1ccc(Br)cc1
InChIInChI=1S/C13H8BrClO3/c14-8-1-4-10(5-2-8)18-12-7-9(15)3-6-11(12)13(16)17/h1-7H,(H,16,17)
InChIKeyATWADCXKVKDQJY-UHFFFAOYSA-N
XLogP4.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.56
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenoxy)-4-chlorobenzoic 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

4-chloro-2-(4-iodophenoxy)benzoic acid
CID 63514896
2-(4-bromophenoxy)-4-chlorobenzenecarbothioamide
CID 63519808
4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid
CID 83234465
4-bromo-2-(5-chloro-2-cyanophenoxy)benzoic acid
CID 63082119
4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid
CID 43364863
5-chloro-2-(4-iodophenoxy)benzoic acid
CID 63459076
5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid
CID 114896165
2-(2,5-dichlorophenoxy)-4-methoxybenzoic acid
CID 81309612
2-[2-(3-bromophenoxy)ethoxy]-4-chlorobenzoic acid
CID 45418932
4-(2-bromo-4-chlorophenoxy)-2-methylbenzoic acid
CID 63534811
4-(4-bromo-2-fluorophenoxy)-2-chlorobenzoic acid
CID 62946581
1-[4-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966599

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-4-chlorobenzoic acid?
The IUPAC name of 2-(4-bromophenoxy)-4-chlorobenzoic acid (CID 55225362) is 2-(4-bromophenoxy)-4-chlorobenzoic acid.
What is the SMILES notation for 2-(4-bromophenoxy)-4-chlorobenzoic acid?
The canonical SMILES for 2-(4-bromophenoxy)-4-chlorobenzoic acid is O=C(O)c1ccc(Cl)cc1Oc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-4-chlorobenzoic acid?
The InChIKey is ATWADCXKVKDQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClO3/c14-8-1-4-10(5-2-8)18-12-7-9(15)3-6-11(12)13(16)17/h1-7H,(H,16,17).
What are the key properties of 2-(4-bromophenoxy)-4-chlorobenzoic acid?
2-(4-bromophenoxy)-4-chlorobenzoic acid has a molecular weight of 327.56 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-4-chlorobenzoic acid is sourced from PubChem (CID 55225362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).