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

C15H12BrFO4 — CID 43471698

IUPAC2-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1OCc1ccc(Br)cc1F
InChIInChI=1S/C15H12BrFO4/c1-20-13-4-2-3-11(15(18)19)14(13)21-8-9-5-6-10(16)7-12(9)17/h2-7H,8H2,1H3,(H,18,19)
InChIKeyGTRBJXPHSFIUHQ-UHFFFAOYSA-N
MW355.16 g/mol
LogP3.87
Rot. Bonds5

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

2-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid (PubChem CID 43471698) has the molecular formula C15H12BrFO4 and a molecular weight of 355.16 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid
PubChem CID43471698
Molecular FormulaC15H12BrFO4
Molecular Weight355.16 g/mol
Exact Mass353.99
IUPAC Name2-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1OCc1ccc(Br)cc1F
InChIInChI=1S/C15H12BrFO4/c1-20-13-4-2-3-11(15(18)19)14(13)21-8-9-5-6-10(16)7-12(9)17/h2-7H,8H2,1H3,(H,18,19)
InChIKeyGTRBJXPHSFIUHQ-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

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Related Compounds

2-[(3-bromo-4-fluorophenyl)methoxy]-3-methoxybenzoic acid
CID 61379650
4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid
CID 11617344
2-[(4-bromo-2-fluorophenyl)methoxy]benzamide
CID 7640045
5-[2-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]-2-methoxybenzoic acid
CID 10459580
2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 102875972
2-[(3-bromo-4-methoxyphenyl)methoxy]-3-fluorobenzoic acid
CID 115956053
5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid
CID 106500714
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 43622448
3-fluoro-4-[(2-methoxyphenoxy)methyl]benzoic acid
CID 63072909
2-(4-bromo-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine
CID 105137154
3-[(4-chloro-2-fluorophenyl)methoxy]-2-methylbenzoic acid
CID 114847687

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid (CID 43471698) is 2-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid is COc1cccc(C(=O)O)c1OCc1ccc(Br)cc1F.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid?
The InChIKey is GTRBJXPHSFIUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO4/c1-20-13-4-2-3-11(15(18)19)14(13)21-8-9-5-6-10(16)7-12(9)17/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid?
2-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic 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-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid is sourced from PubChem (CID 43471698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).