2-[2-[(2-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid

C15H12BrFO3 — CID 115460810

IUPAC2-[2-[(2-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1COc1cc(F)ccc1Br
InChIInChI=1S/C15H12BrFO3/c16-13-6-5-12(17)8-14(13)20-9-11-4-2-1-3-10(11)7-15(18)19/h1-6,8H,7,9H2,(H,18,19)
InChIKeyPVOYNYHYUCOPKJ-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.79
Rot. Bonds5

About 2-[2-[(2-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid

2-[2-[(2-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid (PubChem CID 115460810) has the molecular formula C15H12BrFO3 and a molecular weight of 339.16 g/mol. Its IUPAC name is 2-[2-[(2-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid
PubChem CID115460810
Molecular FormulaC15H12BrFO3
Molecular Weight339.16 g/mol
Exact Mass338.00
IUPAC Name2-[2-[(2-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1COc1cc(F)ccc1Br
InChIInChI=1S/C15H12BrFO3/c16-13-6-5-12(17)8-14(13)20-9-11-4-2-1-3-10(11)7-15(18)19/h1-6,8H,7,9H2,(H,18,19)
InChIKeyPVOYNYHYUCOPKJ-UHFFFAOYSA-N
XLogP3.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-[(2-bromo-5-fluorophenoxy)methyl]phenyl]acetic 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-[(2-amino-5-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460486
1-bromo-4-fluoro-2-[(2-iodophenyl)methoxy]benzene
CID 58564425
1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene
CID 79020415
2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid
CID 24699873
2-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460808
3-[(2-bromo-5-fluorophenoxy)methyl]-2-fluoroaniline
CID 107347993
2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid
CID 22366404
5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 107881254
2-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24710640
2-(2-bromo-5-fluorophenoxy)acetamide
CID 81494596
4-bromo-3-[(2-methylphenyl)methoxy]benzoic acid
CID 114103815
4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid
CID 104637811

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid (CID 115460810) is 2-[2-[(2-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1COc1cc(F)ccc1Br.
What is the InChIKey of 2-[2-[(2-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid?
The InChIKey is PVOYNYHYUCOPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO3/c16-13-6-5-12(17)8-14(13)20-9-11-4-2-1-3-10(11)7-15(18)19/h1-6,8H,7,9H2,(H,18,19).
What are the key properties of 2-[2-[(2-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid?
2-[2-[(2-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid has a molecular weight of 339.16 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid is sourced from PubChem (CID 115460810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).