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

C14H9BrF2O3 — CID 107014211

IUPAC2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)cc1OCc1ccc(F)c(Br)c1
InChIInChI=1S/C14H9BrF2O3/c15-11-5-8(1-4-12(11)17)7-20-13-6-9(16)2-3-10(13)14(18)19/h1-6H,7H2,(H,18,19)
InChIKeyJUYXOONSRQYMOU-UHFFFAOYSA-N
MW343.12 g/mol
LogP4.00
Rot. Bonds4

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

2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid (PubChem CID 107014211) has the molecular formula C14H9BrF2O3 and a molecular weight of 343.12 g/mol. Its IUPAC name is 2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid
PubChem CID107014211
Molecular FormulaC14H9BrF2O3
Molecular Weight343.12 g/mol
Exact Mass341.97
IUPAC Name2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)cc1OCc1ccc(F)c(Br)c1
InChIInChI=1S/C14H9BrF2O3/c15-11-5-8(1-4-12(11)17)7-20-13-6-9(16)2-3-10(13)14(18)19/h1-6H,7H2,(H,18,19)
InChIKeyJUYXOONSRQYMOU-UHFFFAOYSA-N
XLogP4.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.12
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-[(3-bromo-4-fluorophenyl)methoxy]benzoic acid
CID 106954773
2-[(3-bromo-4-fluorophenyl)methoxy]-4-methylbenzoic acid
CID 61037590
5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 107881254
5-[(2-bromo-4-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 107881036
4-fluoro-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 107014381
5-amino-2-[(3-bromo-4-fluorophenyl)methoxy]benzoic acid
CID 43379961
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene
CID 55219072
2-[(3-bromo-4-methoxyphenyl)methoxy]-5-fluorobenzoic acid
CID 115297973
2-[(3-bromo-4-fluorophenyl)methoxy]-3-methoxybenzoic acid
CID 61379650
4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid
CID 107014367
2-[(4-cyanophenyl)methoxy]-4-fluorobenzoic acid
CID 107014369
2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid
CID 107014577

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid?
The IUPAC name of 2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid (CID 107014211) is 2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid?
The canonical SMILES for 2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid is O=C(O)c1ccc(F)cc1OCc1ccc(F)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid?
The InChIKey is JUYXOONSRQYMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2O3/c15-11-5-8(1-4-12(11)17)7-20-13-6-9(16)2-3-10(13)14(18)19/h1-6H,7H2,(H,18,19).
What are the key properties of 2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid?
2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid has a molecular weight of 343.12 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid is sourced from PubChem (CID 107014211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).