2-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid

C15H12BrFO3 — CID 115460808

IUPAC2-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1COc1cc(F)cc(Br)c1
InChIInChI=1S/C15H12BrFO3/c16-12-6-13(17)8-14(7-12)20-9-11-4-2-1-3-10(11)5-15(18)19/h1-4,6-8H,5,9H2,(H,18,19)
InChIKeyIQBFEERDTREWHB-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.79
Rot. Bonds5

About 2-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid

2-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid (PubChem CID 115460808) has the molecular formula C15H12BrFO3 and a molecular weight of 339.16 g/mol. Its IUPAC name is 2-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid
PubChem CID115460808
Molecular FormulaC15H12BrFO3
Molecular Weight339.16 g/mol
Exact Mass338.00
IUPAC Name2-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1COc1cc(F)cc(Br)c1
InChIInChI=1S/C15H12BrFO3/c16-12-6-13(17)8-14(7-12)20-9-11-4-2-1-3-10(11)5-15(18)19/h1-4,6-8H,5,9H2,(H,18,19)
InChIKeyIQBFEERDTREWHB-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

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Related Compounds

3-[(3-bromo-5-fluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 81325707
2-amino-6-[(3-bromo-5-fluorophenoxy)methyl]benzoic acid
CID 104825543
1-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 81325621
1-[(3-bromo-5-fluorophenoxy)methyl]naphthalene
CID 81331619
2-(3-bromo-5-fluorophenoxy)acetic acid
CID 81321991
2-[2-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]acetic acid
CID 107722369
2-[(3-bromo-5-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 81332303
3-[(3-bromo-5-fluorophenoxy)methyl]thiophene-2-carboxylic acid
CID 81322068
N-[[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 81314653
2-[(3-bromo-5-fluorophenoxy)methyl]benzenecarboximidamide
CID 81331316
[3-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114175
2-(3-bromo-5-fluorophenoxy)-1-phenylethanone
CID 81332556

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid (CID 115460808) is 2-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1COc1cc(F)cc(Br)c1.
What is the InChIKey of 2-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid?
The InChIKey is IQBFEERDTREWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO3/c16-12-6-13(17)8-14(7-12)20-9-11-4-2-1-3-10(11)5-15(18)19/h1-4,6-8H,5,9H2,(H,18,19).
What are the key properties of 2-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid?
2-[2-[(3-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-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid is sourced from PubChem (CID 115460808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).