3,5-dibromo-4-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid

C14H8Br2ClFO3 — CID 107881642

IUPAC3,5-dibromo-4-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cc(Br)c(OCc2ccc(Cl)c(F)c2)c(Br)c1
InChIInChI=1S/C14H8Br2ClFO3/c15-9-4-8(14(19)20)5-10(16)13(9)21-6-7-1-2-11(17)12(18)3-7/h1-5H,6H2,(H,19,20)
InChIKeyLAKRMKQIKXHVOH-UHFFFAOYSA-N
MW438.47 g/mol
LogP5.28
Rot. Bonds4

About 3,5-dibromo-4-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid

3,5-dibromo-4-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid (PubChem CID 107881642) has the molecular formula C14H8Br2ClFO3 and a molecular weight of 438.47 g/mol. Its IUPAC name is 3,5-dibromo-4-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3,5-dibromo-4-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid
PubChem CID107881642
Molecular FormulaC14H8Br2ClFO3
Molecular Weight438.47 g/mol
Exact Mass435.85
IUPAC Name3,5-dibromo-4-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cc(Br)c(OCc2ccc(Cl)c(F)c2)c(Br)c1
InChIInChI=1S/C14H8Br2ClFO3/c15-9-4-8(14(19)20)5-10(16)13(9)21-6-7-1-2-11(17)12(18)3-7/h1-5H,6H2,(H,19,20)
InChIKeyLAKRMKQIKXHVOH-UHFFFAOYSA-N
XLogP5.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.47
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluoroaniline
CID 107877984
3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707072
5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 107881627
1-bromo-3-(bromomethyl)-2-[(4-chloro-3-fluorophenyl)methoxy]benzene
CID 107882612
3-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]benzoic acid
CID 103038113
4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid
CID 65124850
3,5-difluoro-4-[(4-fluorophenyl)methoxy]benzoic acid
CID 79887700
1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107884087
4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorobenzoic acid
CID 79880846
[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine
CID 107879157
1-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-fluorobenzene
CID 107882644
2-amino-6-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107882860

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid?
The IUPAC name of 3,5-dibromo-4-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid (CID 107881642) is 3,5-dibromo-4-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 3,5-dibromo-4-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid?
The canonical SMILES for 3,5-dibromo-4-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid is O=C(O)c1cc(Br)c(OCc2ccc(Cl)c(F)c2)c(Br)c1.
What is the InChIKey of 3,5-dibromo-4-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid?
The InChIKey is LAKRMKQIKXHVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2ClFO3/c15-9-4-8(14(19)20)5-10(16)13(9)21-6-7-1-2-11(17)12(18)3-7/h1-5H,6H2,(H,19,20).
What are the key properties of 3,5-dibromo-4-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid?
3,5-dibromo-4-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid has a molecular weight of 438.47 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 107881642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).