2-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid

C14H9BrClFO3 — CID 115955941

IUPAC2-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid
SMILESO=C(O)c1cccc(Cl)c1OCc1ccc(F)cc1Br
InChIInChI=1S/C14H9BrClFO3/c15-11-6-9(17)5-4-8(11)7-20-13-10(14(18)19)2-1-3-12(13)16/h1-6H,7H2,(H,18,19)
InChIKeyXPXKYNNSZLDXRP-UHFFFAOYSA-N
MW359.58 g/mol
LogP4.52
Rot. Bonds4

About 2-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid

2-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid (PubChem CID 115955941) has the molecular formula C14H9BrClFO3 and a molecular weight of 359.58 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid
PubChem CID115955941
Molecular FormulaC14H9BrClFO3
Molecular Weight359.58 g/mol
Exact Mass357.94
IUPAC Name2-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid
SMILESO=C(O)c1cccc(Cl)c1OCc1ccc(F)cc1Br
InChIInChI=1S/C14H9BrClFO3/c15-11-6-9(17)5-4-8(11)7-20-13-10(14(18)19)2-1-3-12(13)16/h1-6H,7H2,(H,18,19)
InChIKeyXPXKYNNSZLDXRP-UHFFFAOYSA-N
XLogP4.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.58
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102616219
2-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid
CID 43516140
2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorobenzoic acid
CID 43217717
3-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzamide
CID 107873441
3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 114930306
3-bromo-2-[(2,3-dichlorophenyl)methoxy]benzoic acid
CID 107306555
3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 115955910
2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene
CID 113220141
2-[(2-bromo-4-fluorophenoxy)methyl]-5-fluorobenzoic acid
CID 63292656
3-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid
CID 102666745
3-bromo-4-[(3-chloro-2-fluorophenoxy)methyl]benzoic acid
CID 102765626
3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 112612002

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid (CID 115955941) is 2-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid is O=C(O)c1cccc(Cl)c1OCc1ccc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid?
The InChIKey is XPXKYNNSZLDXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFO3/c15-11-6-9(17)5-4-8(11)7-20-13-10(14(18)19)2-1-3-12(13)16/h1-6H,7H2,(H,18,19).
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid?
2-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid has a molecular weight of 359.58 g/mol, XLogP of 4.52, 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-chlorobenzoic acid is sourced from PubChem (CID 115955941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).