6-(4-bromo-2-fluorophenoxy)-2-fluoro-3-methoxybenzoic acid

C14H9BrF2O4 — CID 67383477

IUPAC6-(4-bromo-2-fluorophenoxy)-2-fluoro-3-methoxybenzoic acid
SMILESCOc1ccc(Oc2ccc(Br)cc2F)c(C(=O)O)c1F
InChIInChI=1S/C14H9BrF2O4/c1-20-11-5-4-10(12(13(11)17)14(18)19)21-9-3-2-7(15)6-8(9)16/h2-6H,1H3,(H,18,19)
InChIKeyKHYDSRWLSLJLNO-UHFFFAOYSA-N
MW359.12 g/mol
LogP4.23
Rot. Bonds4

About 6-(4-bromo-2-fluorophenoxy)-2-fluoro-3-methoxybenzoic acid

6-(4-bromo-2-fluorophenoxy)-2-fluoro-3-methoxybenzoic acid (PubChem CID 67383477) has the molecular formula C14H9BrF2O4 and a molecular weight of 359.12 g/mol. Its IUPAC name is 6-(4-bromo-2-fluorophenoxy)-2-fluoro-3-methoxybenzoic acid.

Molecular Properties

Compound Name6-(4-bromo-2-fluorophenoxy)-2-fluoro-3-methoxybenzoic acid
PubChem CID67383477
Molecular FormulaC14H9BrF2O4
Molecular Weight359.12 g/mol
Exact Mass357.97
IUPAC Name6-(4-bromo-2-fluorophenoxy)-2-fluoro-3-methoxybenzoic acid
SMILESCOc1ccc(Oc2ccc(Br)cc2F)c(C(=O)O)c1F
InChIInChI=1S/C14H9BrF2O4/c1-20-11-5-4-10(12(13(11)17)14(18)19)21-9-3-2-7(15)6-8(9)16/h2-6H,1H3,(H,18,19)
InChIKeyKHYDSRWLSLJLNO-UHFFFAOYSA-N
XLogP4.23
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.12
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052848
2-(2,4-dibromophenoxy)-6-fluorobenzoic acid
CID 79511667
methyl 2-(4-bromo-2-fluorophenoxy)benzoate
CID 90285144
4-(4-bromo-2-fluorophenoxy)-2-methylbenzoic acid
CID 62136646
5-bromo-2-(2,5-dibromo-4-methoxyphenoxy)benzoic acid
CID 114896173
(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474023
(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 114905847
5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731
4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid
CID 11617344
4-bromo-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzoic acid
CID 169097100
4-(4-bromo-2-fluorophenoxy)-2-chlorobenzoic acid
CID 62946581
(E)-3-[2-(4-bromo-2-fluorophenoxy)-5-fluorophenyl]prop-2-enoic acid
CID 43313447

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-fluorophenoxy)-2-fluoro-3-methoxybenzoic acid?
The IUPAC name of 6-(4-bromo-2-fluorophenoxy)-2-fluoro-3-methoxybenzoic acid (CID 67383477) is 6-(4-bromo-2-fluorophenoxy)-2-fluoro-3-methoxybenzoic acid.
What is the SMILES notation for 6-(4-bromo-2-fluorophenoxy)-2-fluoro-3-methoxybenzoic acid?
The canonical SMILES for 6-(4-bromo-2-fluorophenoxy)-2-fluoro-3-methoxybenzoic acid is COc1ccc(Oc2ccc(Br)cc2F)c(C(=O)O)c1F.
What is the InChIKey of 6-(4-bromo-2-fluorophenoxy)-2-fluoro-3-methoxybenzoic acid?
The InChIKey is KHYDSRWLSLJLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2O4/c1-20-11-5-4-10(12(13(11)17)14(18)19)21-9-3-2-7(15)6-8(9)16/h2-6H,1H3,(H,18,19).
What are the key properties of 6-(4-bromo-2-fluorophenoxy)-2-fluoro-3-methoxybenzoic acid?
6-(4-bromo-2-fluorophenoxy)-2-fluoro-3-methoxybenzoic acid has a molecular weight of 359.12 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-fluorophenoxy)-2-fluoro-3-methoxybenzoic acid is sourced from PubChem (CID 67383477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).