2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene

C13H9Br2FO — CID 83231614

IUPAC2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene
SMILESFc1ccc(OCc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C13H9Br2FO/c14-10-3-1-9(2-4-10)8-17-11-5-6-13(16)12(15)7-11/h1-7H,8H2
InChIKeyOGWPOXIEJHNVQH-UHFFFAOYSA-N
MW360.02 g/mol
LogP4.93
Rot. Bonds3

About 2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene

2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene (PubChem CID 83231614) has the molecular formula C13H9Br2FO and a molecular weight of 360.02 g/mol. Its IUPAC name is 2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene
PubChem CID83231614
Molecular FormulaC13H9Br2FO
Molecular Weight360.02 g/mol
Exact Mass357.90
IUPAC Name2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene
SMILESFc1ccc(OCc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C13H9Br2FO/c14-10-3-1-9(2-4-10)8-17-11-5-6-13(16)12(15)7-11/h1-7H,8H2
InChIKeyOGWPOXIEJHNVQH-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.02
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 83233328
1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene
CID 83233067
2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene
CID 83233544
2-[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 105351576
N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83231219
2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene
CID 63458365
4-[(3-bromo-4-fluorophenoxy)methyl]pyridazine
CID 163255021
5-[(3-bromo-4-fluorophenoxy)methyl]-2-methoxyaniline
CID 83233823
2-bromo-4-[(5-bromo-2-methoxyphenyl)methoxy]-1-fluorobenzene
CID 83233054
2-bromo-4-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 83232064
4-[(3-bromo-4-fluorophenoxy)methyl]-2-methoxybenzonitrile
CID 106788655
5-[(3-bromo-4-fluorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 83235069

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene?
The IUPAC name of 2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene (CID 83231614) is 2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene is Fc1ccc(OCc2ccc(Br)cc2)cc1Br.
What is the InChIKey of 2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene?
The InChIKey is OGWPOXIEJHNVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2FO/c14-10-3-1-9(2-4-10)8-17-11-5-6-13(16)12(15)7-11/h1-7H,8H2.
What are the key properties of 2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene?
2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene has a molecular weight of 360.02 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene is sourced from PubChem (CID 83231614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).