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

C14H10Br2ClFO — CID 63534718

IUPAC2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene
SMILESFc1ccc(COc2ccc(CCl)cc2Br)cc1Br
InChIInChI=1S/C14H10Br2ClFO/c15-11-6-10(1-3-13(11)18)8-19-14-4-2-9(7-17)5-12(14)16/h1-6H,7-8H2
InChIKeyGTMWTTOHMLSNBT-UHFFFAOYSA-N
MW408.49 g/mol
LogP5.67
Rot. Bonds4

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

2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene (PubChem CID 63534718) has the molecular formula C14H10Br2ClFO and a molecular weight of 408.49 g/mol. Its IUPAC name is 2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene.

Molecular Properties

Compound Name2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene
PubChem CID63534718
Molecular FormulaC14H10Br2ClFO
Molecular Weight408.49 g/mol
Exact Mass405.88
IUPAC Name2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene
SMILESFc1ccc(COc2ccc(CCl)cc2Br)cc1Br
InChIInChI=1S/C14H10Br2ClFO/c15-11-6-10(1-3-13(11)18)8-19-14-4-2-9(7-17)5-12(14)16/h1-6H,7-8H2
InChIKeyGTMWTTOHMLSNBT-UHFFFAOYSA-N
XLogP5.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 55.67
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

2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene
CID 55219072
2-bromo-1-[(4-bromo-2-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63536412
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63534231
1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 63457062
1-[[2-bromo-4-(chloromethyl)phenoxy]methyl]-2-chloro-3-fluorobenzene
CID 112652538
2-bromo-4-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-fluorobenzene
CID 63534999
2-bromo-4-(chloromethyl)-1-[(4-propan-2-ylphenyl)methoxy]benzene
CID 63536071
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692866
[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine
CID 107879157
2-bromo-4-(chloromethyl)-1-(2,5-difluorophenoxy)benzene
CID 114062638
4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorobenzonitrile
CID 107667707
2-[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 107885526

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene?
The IUPAC name of 2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene (CID 63534718) is 2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene.
What is the SMILES notation for 2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene?
The canonical SMILES for 2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene is Fc1ccc(COc2ccc(CCl)cc2Br)cc1Br.
What is the InChIKey of 2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene?
The InChIKey is GTMWTTOHMLSNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClFO/c15-11-6-10(1-3-13(11)18)8-19-14-4-2-9(7-17)5-12(14)16/h1-6H,7-8H2.
What are the key properties of 2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene?
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene has a molecular weight of 408.49 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene is sourced from PubChem (CID 63534718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).