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

C15H12BrFO4 — CID 107014577

IUPAC2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid
SMILESCOc1ccc(Br)c(COc2cc(F)ccc2C(=O)O)c1
InChIInChI=1S/C15H12BrFO4/c1-20-11-3-5-13(16)9(6-11)8-21-14-7-10(17)2-4-12(14)15(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyABDQSJRMXWRWOE-UHFFFAOYSA-N
MW355.16 g/mol
LogP3.87
Rot. Bonds5

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

2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid (PubChem CID 107014577) has the molecular formula C15H12BrFO4 and a molecular weight of 355.16 g/mol. Its IUPAC name is 2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid
PubChem CID107014577
Molecular FormulaC15H12BrFO4
Molecular Weight355.16 g/mol
Exact Mass353.99
IUPAC Name2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid
SMILESCOc1ccc(Br)c(COc2cc(F)ccc2C(=O)O)c1
InChIInChI=1S/C15H12BrFO4/c1-20-11-3-5-13(16)9(6-11)8-21-14-7-10(17)2-4-12(14)15(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyABDQSJRMXWRWOE-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

1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene
CID 102983162
2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid
CID 24699873
4-[(2-bromo-5-fluorophenyl)methoxy]-2-methylbenzoic acid
CID 107671314
2-[(2-bromo-5-methoxyphenyl)methoxy]-5-fluoroaniline
CID 65322510
2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid
CID 114345678
(1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorophenyl]ethanamine
CID 79005238
2-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212951
3-[(2-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446134
3-[(2-bromo-5-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 65322037
2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968175
2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid
CID 107014211
2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 102875972

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid?
The IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid (CID 107014577) is 2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid?
The canonical SMILES for 2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid is COc1ccc(Br)c(COc2cc(F)ccc2C(=O)O)c1.
What is the InChIKey of 2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid?
The InChIKey is ABDQSJRMXWRWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO4/c1-20-11-3-5-13(16)9(6-11)8-21-14-7-10(17)2-4-12(14)15(18)19/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid?
2-[(2-bromo-5-methoxyphenyl)methoxy]-4-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-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid is sourced from PubChem (CID 107014577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).