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

C13H10BrFO — CID 2758970

IUPAC1-bromo-3-[(4-fluorophenyl)methoxy]benzene
SMILESFc1ccc(COc2cccc(Br)c2)cc1
InChIInChI=1S/C13H10BrFO/c14-11-2-1-3-13(8-11)16-9-10-4-6-12(15)7-5-10/h1-8H,9H2
InChIKeyXDWVGNILIVLUOR-UHFFFAOYSA-N
MW281.12 g/mol
LogP4.17
Rot. Bonds3

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

1-bromo-3-[(4-fluorophenyl)methoxy]benzene (PubChem CID 2758970) has the molecular formula C13H10BrFO and a molecular weight of 281.12 g/mol. Its IUPAC name is 1-bromo-3-[(4-fluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-bromo-3-[(4-fluorophenyl)methoxy]benzene
PubChem CID2758970
Molecular FormulaC13H10BrFO
Molecular Weight281.12 g/mol
Exact Mass279.99
IUPAC Name1-bromo-3-[(4-fluorophenyl)methoxy]benzene
SMILESFc1ccc(COc2cccc(Br)c2)cc1
InChIInChI=1S/C13H10BrFO/c14-11-2-1-3-13(8-11)16-9-10-4-6-12(15)7-5-10/h1-8H,9H2
InChIKeyXDWVGNILIVLUOR-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(4-fluorophenyl)methoxy]benzene?
The IUPAC name of 1-bromo-3-[(4-fluorophenyl)methoxy]benzene (CID 2758970) is 1-bromo-3-[(4-fluorophenyl)methoxy]benzene.
What is the SMILES notation for 1-bromo-3-[(4-fluorophenyl)methoxy]benzene?
The canonical SMILES for 1-bromo-3-[(4-fluorophenyl)methoxy]benzene is Fc1ccc(COc2cccc(Br)c2)cc1.
What is the InChIKey of 1-bromo-3-[(4-fluorophenyl)methoxy]benzene?
The InChIKey is XDWVGNILIVLUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFO/c14-11-2-1-3-13(8-11)16-9-10-4-6-12(15)7-5-10/h1-8H,9H2.
What are the key properties of 1-bromo-3-[(4-fluorophenyl)methoxy]benzene?
1-bromo-3-[(4-fluorophenyl)methoxy]benzene has a molecular weight of 281.12 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(4-fluorophenyl)methoxy]benzene is sourced from PubChem (CID 2758970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).