2-[(3-bromo-4-methoxyphenyl)methoxy]-5-fluorobenzoic acid

C15H12BrFO4 — CID 115297973

IUPAC2-[(3-bromo-4-methoxyphenyl)methoxy]-5-fluorobenzoic acid
SMILESCOc1ccc(COc2ccc(F)cc2C(=O)O)cc1Br
InChIInChI=1S/C15H12BrFO4/c1-20-14-4-2-9(6-12(14)16)8-21-13-5-3-10(17)7-11(13)15(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyJFQYVVKVQNDXPO-UHFFFAOYSA-N
MW355.16 g/mol
LogP3.87
Rot. Bonds5

About 2-[(3-bromo-4-methoxyphenyl)methoxy]-5-fluorobenzoic acid

2-[(3-bromo-4-methoxyphenyl)methoxy]-5-fluorobenzoic acid (PubChem CID 115297973) has the molecular formula C15H12BrFO4 and a molecular weight of 355.16 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxyphenyl)methoxy]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(3-bromo-4-methoxyphenyl)methoxy]-5-fluorobenzoic acid
PubChem CID115297973
Molecular FormulaC15H12BrFO4
Molecular Weight355.16 g/mol
Exact Mass353.99
IUPAC Name2-[(3-bromo-4-methoxyphenyl)methoxy]-5-fluorobenzoic acid
SMILESCOc1ccc(COc2ccc(F)cc2C(=O)O)cc1Br
InChIInChI=1S/C15H12BrFO4/c1-20-14-4-2-9(6-12(14)16)8-21-13-5-3-10(17)7-11(13)15(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyJFQYVVKVQNDXPO-UHFFFAOYSA-N
XLogP3.87
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.16
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-bromo-4-methoxyphenyl)methoxy]-5-fluorobenzoic 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-[(3-bromo-4-methoxyphenyl)methoxy]-3-fluorobenzoic acid
CID 115956053
5-[(2-bromo-4-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 107881036
4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid
CID 45397817
2-[(3-bromo-4-methoxyphenyl)methoxy]-4-chlorobenzoic acid
CID 45286799
2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid
CID 107014211
5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid
CID 115298089
3-[(3-bromo-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 63336501
4-[(2-bromo-4-methylphenoxy)methyl]-2-methoxybenzoic acid
CID 106794003
2-[(2-bromo-4-fluorophenoxy)methyl]-5-fluorobenzoic acid
CID 63292656
2-[(3-bromo-4-fluorophenyl)methoxy]-3-methoxybenzoic acid
CID 61379650
5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 107881254
3-[(3-bromo-4-methoxyphenyl)methoxy]-6-methylpyridine-2-carboxylic acid
CID 79156646

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methoxy]-5-fluorobenzoic acid?
The IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methoxy]-5-fluorobenzoic acid (CID 115297973) is 2-[(3-bromo-4-methoxyphenyl)methoxy]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[(3-bromo-4-methoxyphenyl)methoxy]-5-fluorobenzoic acid?
The canonical SMILES for 2-[(3-bromo-4-methoxyphenyl)methoxy]-5-fluorobenzoic acid is COc1ccc(COc2ccc(F)cc2C(=O)O)cc1Br.
What is the InChIKey of 2-[(3-bromo-4-methoxyphenyl)methoxy]-5-fluorobenzoic acid?
The InChIKey is JFQYVVKVQNDXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO4/c1-20-14-4-2-9(6-12(14)16)8-21-13-5-3-10(17)7-11(13)15(18)19/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 2-[(3-bromo-4-methoxyphenyl)methoxy]-5-fluorobenzoic acid?
2-[(3-bromo-4-methoxyphenyl)methoxy]-5-fluorobenzoic acid has a molecular weight of 355.16 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methoxyphenyl)methoxy]-5-fluorobenzoic acid is sourced from PubChem (CID 115297973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).