3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid

C14H9Br2FO3 — CID 8707072

IUPAC3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cc(Br)c(OCc2ccccc2F)c(Br)c1
InChIInChI=1S/C14H9Br2FO3/c15-10-5-9(14(18)19)6-11(16)13(10)20-7-8-3-1-2-4-12(8)17/h1-6H,7H2,(H,18,19)
InChIKeyBPMFLPDHGSVYIA-UHFFFAOYSA-N
MW404.03 g/mol
LogP4.63
Rot. Bonds4

About 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid

3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid (PubChem CID 8707072) has the molecular formula C14H9Br2FO3 and a molecular weight of 404.03 g/mol. Its IUPAC name is 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid
PubChem CID8707072
Molecular FormulaC14H9Br2FO3
Molecular Weight404.03 g/mol
Exact Mass401.89
IUPAC Name3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cc(Br)c(OCc2ccccc2F)c(Br)c1
InChIInChI=1S/C14H9Br2FO3/c15-10-5-9(14(18)19)6-11(16)13(10)20-7-8-3-1-2-4-12(8)17/h1-6H,7H2,(H,18,19)
InChIKeyBPMFLPDHGSVYIA-UHFFFAOYSA-N
XLogP4.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.03
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoate
CID 8707071
4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid
CID 28932941
3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 8707053
ethyl 3-bromo-5-chloro-4-[(2-fluorophenyl)methoxy]benzoate
CID 91685967
2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 63932215
3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzoic acid
CID 8707086
3-[3-bromo-5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 20988139
2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 107739433
3,5-dibromo-4-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107881642
3,5-dichloro-4-[(2-fluorophenyl)methoxy]benzamide
CID 91682781
3-bromo-4-[(2,3-difluorophenyl)methoxy]benzoic acid
CID 60711645
5-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
CID 63852379

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid?
The IUPAC name of 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid (CID 8707072) is 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid?
The canonical SMILES for 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid is O=C(O)c1cc(Br)c(OCc2ccccc2F)c(Br)c1.
What is the InChIKey of 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid?
The InChIKey is BPMFLPDHGSVYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2FO3/c15-10-5-9(14(18)19)6-11(16)13(10)20-7-8-3-1-2-4-12(8)17/h1-6H,7H2,(H,18,19).
What are the key properties of 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid?
3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid has a molecular weight of 404.03 g/mol, XLogP of 4.63, 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-[(2-fluorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 8707072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).