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

C14H8Br2FO3- — CID 8707071

IUPAC3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoate
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)/p-1
InChIKeyBPMFLPDHGSVYIA-UHFFFAOYSA-M
MW403.02 g/mol
LogP3.29
Rot. Bonds4

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

3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoate (PubChem CID 8707071) has the molecular formula C14H8Br2FO3- and a molecular weight of 403.02 g/mol. Its IUPAC name is 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoate.

Molecular Properties

Compound Name3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoate
PubChem CID8707071
Molecular FormulaC14H8Br2FO3-
Molecular Weight403.02 g/mol
Exact Mass400.88
IUPAC Name3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoate
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)/p-1
InChIKeyBPMFLPDHGSVYIA-UHFFFAOYSA-M
XLogP3.29
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.02
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707072
3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzoate
CID 8707056
ethyl 3-bromo-5-chloro-4-[(2-fluorophenyl)methoxy]benzoate
CID 91685967
2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 107739433
3,5-dichloro-4-[(2-fluorophenyl)methoxy]benzamide
CID 91682781
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]methylidene]propanedinitrile
CID 4032159
2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene
CID 146003855
4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid
CID 28932941
1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene
CID 79020415
4-[[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate
CID 27137830
3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 8707053

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoate?
The IUPAC name of 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoate (CID 8707071) is 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoate.
What is the SMILES notation for 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoate?
The canonical SMILES for 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoate is O=C([O-])c1cc(Br)c(OCc2ccccc2F)c(Br)c1.
What is the InChIKey of 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoate?
The InChIKey is BPMFLPDHGSVYIA-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoate?
3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoate has a molecular weight of 403.02 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoate is sourced from PubChem (CID 8707071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).