2-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid

C14H8BrCl2FO3 — CID 43516140

IUPAC2-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid
SMILESO=C(O)c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1Br
InChIInChI=1S/C14H8BrCl2FO3/c15-11-5-9(18)2-1-7(11)6-21-13-10(14(19)20)3-8(16)4-12(13)17/h1-5H,6H2,(H,19,20)
InChIKeyNQMCETRACDJVSA-UHFFFAOYSA-N
MW394.02 g/mol
LogP5.17
Rot. Bonds4

About 2-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid

2-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid (PubChem CID 43516140) has the molecular formula C14H8BrCl2FO3 and a molecular weight of 394.02 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid
PubChem CID43516140
Molecular FormulaC14H8BrCl2FO3
Molecular Weight394.02 g/mol
Exact Mass391.90
IUPAC Name2-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid
SMILESO=C(O)c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1Br
InChIInChI=1S/C14H8BrCl2FO3/c15-11-5-9(18)2-1-7(11)6-21-13-10(14(19)20)3-8(16)4-12(13)17/h1-5H,6H2,(H,19,20)
InChIKeyNQMCETRACDJVSA-UHFFFAOYSA-N
XLogP5.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.02
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dichlorobenzoic 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-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid
CID 115955941
2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorobenzoic acid
CID 43217717
2-[(3-bromo-5-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid
CID 79700925
2-[(2-bromo-4-fluorophenoxy)methyl]-5-fluorobenzoic acid
CID 63292656
5-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzoic acid
CID 43379973
5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylbenzoic acid
CID 102616221
3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102616219
2-bromo-1-[(4-chlorophenoxy)methyl]-4-fluorobenzene
CID 63457531
2-[(2-bromophenyl)methoxy]-5-chloro-3-methoxybenzoic acid
CID 104665659
3,5-dichloro-2-(3-fluoropropoxy)benzoic acid
CID 81106842
2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene
CID 113220141
3,5-dichloro-2-[(3,4-dimethylphenyl)methoxy]benzoic acid
CID 63529202

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid (CID 43516140) is 2-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid is O=C(O)c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid?
The InChIKey is NQMCETRACDJVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2FO3/c15-11-5-9(18)2-1-7(11)6-21-13-10(14(19)20)3-8(16)4-12(13)17/h1-5H,6H2,(H,19,20).
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid?
2-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid has a molecular weight of 394.02 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid is sourced from PubChem (CID 43516140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).