4-(3-bromophenoxy)-2-(4-chlorophenyl)butanoic acid

C16H14BrClO3 — CID 79430529

IUPAC4-(3-bromophenoxy)-2-(4-chlorophenyl)butanoic acid
SMILESO=C(O)C(CCOc1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14BrClO3/c17-12-2-1-3-14(10-12)21-9-8-15(16(19)20)11-4-6-13(18)7-5-11/h1-7,10,15H,8-9H2,(H,19,20)
InChIKeyMAWHZCHASRBROA-UHFFFAOYSA-N
MW369.64 g/mol
LogP4.74
Rot. Bonds6

About 4-(3-bromophenoxy)-2-(4-chlorophenyl)butanoic acid

4-(3-bromophenoxy)-2-(4-chlorophenyl)butanoic acid (PubChem CID 79430529) has the molecular formula C16H14BrClO3 and a molecular weight of 369.64 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-2-(4-chlorophenyl)butanoic acid.

Molecular Properties

Compound Name4-(3-bromophenoxy)-2-(4-chlorophenyl)butanoic acid
PubChem CID79430529
Molecular FormulaC16H14BrClO3
Molecular Weight369.64 g/mol
Exact Mass367.98
IUPAC Name4-(3-bromophenoxy)-2-(4-chlorophenyl)butanoic acid
SMILESO=C(O)C(CCOc1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14BrClO3/c17-12-2-1-3-14(10-12)21-9-8-15(16(19)20)11-4-6-13(18)7-5-11/h1-7,10,15H,8-9H2,(H,19,20)
InChIKeyMAWHZCHASRBROA-UHFFFAOYSA-N
XLogP4.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.64
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-bromophenoxy)ethoxy]-4-chlorobenzoic acid
CID 45418932
2-(3-chlorophenyl)-5-phenoxypentanoic acid
CID 79431082
4-(3-bromophenoxy)-2-cyclopentylbutanoic acid
CID 112569165
2-(4-chlorophenyl)-4-fluorobutanoic acid
CID 80694462
2-(3-bromophenoxy)ethyl 2-[(4-chlorobenzoyl)amino]acetate
CID 2492843
2-(4-chlorophenyl)-4-ethoxybutanoic acid
CID 79440541
4-(3-bromophenoxy)-2-methyl-1-phenylbutan-1-one
CID 104845024
1-bromo-3-[4-bromo-3-(3-chlorophenyl)butoxy]benzene
CID 79432512
2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 112590790
(2S)-2,4-bis(4-chlorophenyl)butanoic acid
CID 129322566
2-(3-bromophenoxy)ethyl 2-phenoxyacetate
CID 55313634
(2S)-2-(3-bromophenyl)-4-(4-chlorophenyl)-4-oxobutanoic acid
CID 1483970

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-2-(4-chlorophenyl)butanoic acid?
The IUPAC name of 4-(3-bromophenoxy)-2-(4-chlorophenyl)butanoic acid (CID 79430529) is 4-(3-bromophenoxy)-2-(4-chlorophenyl)butanoic acid.
What is the SMILES notation for 4-(3-bromophenoxy)-2-(4-chlorophenyl)butanoic acid?
The canonical SMILES for 4-(3-bromophenoxy)-2-(4-chlorophenyl)butanoic acid is O=C(O)C(CCOc1cccc(Br)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-(3-bromophenoxy)-2-(4-chlorophenyl)butanoic acid?
The InChIKey is MAWHZCHASRBROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO3/c17-12-2-1-3-14(10-12)21-9-8-15(16(19)20)11-4-6-13(18)7-5-11/h1-7,10,15H,8-9H2,(H,19,20).
What are the key properties of 4-(3-bromophenoxy)-2-(4-chlorophenyl)butanoic acid?
4-(3-bromophenoxy)-2-(4-chlorophenyl)butanoic acid has a molecular weight of 369.64 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-2-(4-chlorophenyl)butanoic acid is sourced from PubChem (CID 79430529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).