4-(3-bromophenoxy)-2-chlorobenzoic acid

C13H8BrClO3 — CID 63512624

IUPAC4-(3-bromophenoxy)-2-chlorobenzoic acid
SMILESO=C(O)c1ccc(Oc2cccc(Br)c2)cc1Cl
InChIInChI=1S/C13H8BrClO3/c14-8-2-1-3-9(6-8)18-10-4-5-11(13(16)17)12(15)7-10/h1-7H,(H,16,17)
InChIKeyAVHSXVUVBAPBCA-UHFFFAOYSA-N
MW327.56 g/mol
LogP4.59
Rot. Bonds3

About 4-(3-bromophenoxy)-2-chlorobenzoic acid

4-(3-bromophenoxy)-2-chlorobenzoic acid (PubChem CID 63512624) has the molecular formula C13H8BrClO3 and a molecular weight of 327.56 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-2-chlorobenzoic acid.

Molecular Properties

Compound Name4-(3-bromophenoxy)-2-chlorobenzoic acid
PubChem CID63512624
Molecular FormulaC13H8BrClO3
Molecular Weight327.56 g/mol
Exact Mass325.93
IUPAC Name4-(3-bromophenoxy)-2-chlorobenzoic acid
SMILESO=C(O)c1ccc(Oc2cccc(Br)c2)cc1Cl
InChIInChI=1S/C13H8BrClO3/c14-8-2-1-3-9(6-8)18-10-4-5-11(13(16)17)12(15)7-10/h1-7H,(H,16,17)
InChIKeyAVHSXVUVBAPBCA-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

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Related Compounds

4-(4-bromo-3,5-dimethylphenoxy)-2-chlorobenzoic acid
CID 107726797
4-(4-bromo-2-fluorophenoxy)-2-chlorobenzoic acid
CID 62946581
2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid
CID 62946260
2-chloro-4-(2-chlorophenoxy)benzoic acid
CID 62946411
2-chloro-4-(4-chloro-3-fluorophenoxy)benzoic acid
CID 82726948
4-(4-tert-butylphenoxy)-2-chlorobenzoic acid
CID 63512968
2-[2-(3-bromophenoxy)ethoxy]-4-chlorobenzoic acid
CID 45418932
bis[4-(3-bromophenoxy)phenyl]methanone
CID 22494465
2-chloro-4-(4-nitrophenoxy)benzoic acid
CID 62944604
2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid
CID 107171000
2-chloro-4-quinolin-7-yloxybenzoic acid
CID 107315358
2-amino-5-(3,4-dichlorophenoxy)benzoic acid
CID 61000632

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-2-chlorobenzoic acid?
The IUPAC name of 4-(3-bromophenoxy)-2-chlorobenzoic acid (CID 63512624) is 4-(3-bromophenoxy)-2-chlorobenzoic acid.
What is the SMILES notation for 4-(3-bromophenoxy)-2-chlorobenzoic acid?
The canonical SMILES for 4-(3-bromophenoxy)-2-chlorobenzoic acid is O=C(O)c1ccc(Oc2cccc(Br)c2)cc1Cl.
What is the InChIKey of 4-(3-bromophenoxy)-2-chlorobenzoic acid?
The InChIKey is AVHSXVUVBAPBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClO3/c14-8-2-1-3-9(6-8)18-10-4-5-11(13(16)17)12(15)7-10/h1-7H,(H,16,17).
What are the key properties of 4-(3-bromophenoxy)-2-chlorobenzoic acid?
4-(3-bromophenoxy)-2-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 4-(3-bromophenoxy)-2-chlorobenzoic acid is sourced from PubChem (CID 63512624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).