1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene

C14H10Br3FO — CID 63535034

IUPAC1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene
SMILESFc1ccc(COc2c(Br)cccc2CBr)c(Br)c1
InChIInChI=1S/C14H10Br3FO/c15-7-9-2-1-3-12(16)14(9)19-8-10-4-5-11(18)6-13(10)17/h1-6H,7-8H2
InChIKeyOWBXLAGFDOCFNN-UHFFFAOYSA-N
MW452.94 g/mol
LogP5.82
Rot. Bonds4

About 1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene

1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene (PubChem CID 63535034) has the molecular formula C14H10Br3FO and a molecular weight of 452.94 g/mol. Its IUPAC name is 1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene
PubChem CID63535034
Molecular FormulaC14H10Br3FO
Molecular Weight452.94 g/mol
Exact Mass449.83
IUPAC Name1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene
SMILESFc1ccc(COc2c(Br)cccc2CBr)c(Br)c1
InChIInChI=1S/C14H10Br3FO/c15-7-9-2-1-3-12(16)14(9)19-8-10-4-5-11(18)6-13(10)17/h1-6H,7-8H2
InChIKeyOWBXLAGFDOCFNN-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.94
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene
CID 63536395
2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene
CID 113220141
2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107906241
3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde
CID 55222594
[2-[(2-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]methanol
CID 112612374
[3-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 61389545
1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958703
1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene
CID 112614047
1-[[2-bromo-6-(bromomethyl)phenoxy]methyl]-2-fluoro-3-nitrobenzene
CID 107349915
1-bromo-3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]-2,4-difluorobenzene
CID 106264502
1-bromo-3-(bromomethyl)-2-[(4-chloro-3-fluorophenyl)methoxy]benzene
CID 107882612
1-(bromomethyl)-3-fluoro-2-[(5-fluoro-2-methylphenyl)methoxy]benzene
CID 105372213

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene?
The IUPAC name of 1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene (CID 63535034) is 1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene.
What is the SMILES notation for 1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene?
The canonical SMILES for 1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene is Fc1ccc(COc2c(Br)cccc2CBr)c(Br)c1.
What is the InChIKey of 1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene?
The InChIKey is OWBXLAGFDOCFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br3FO/c15-7-9-2-1-3-12(16)14(9)19-8-10-4-5-11(18)6-13(10)17/h1-6H,7-8H2.
What are the key properties of 1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene?
1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene has a molecular weight of 452.94 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene is sourced from PubChem (CID 63535034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).