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

C14H11BrClFO — CID 28981507

IUPAC4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene
SMILESFc1ccccc1COc1ccc(Br)cc1CCl
InChIInChI=1S/C14H11BrClFO/c15-12-5-6-14(11(7-12)8-16)18-9-10-3-1-2-4-13(10)17/h1-7H,8-9H2
InChIKeyUWKAGJGGYZQKDO-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.91
Rot. Bonds4

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

4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene (PubChem CID 28981507) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is 4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene
PubChem CID28981507
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene
SMILESFc1ccccc1COc1ccc(Br)cc1CCl
InChIInChI=1S/C14H11BrClFO/c15-12-5-6-14(11(7-12)8-16)18-9-10-3-1-2-4-13(10)17/h1-7H,8-9H2
InChIKeyUWKAGJGGYZQKDO-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.60
LogP ≤ 54.91
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

4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene
CID 55225136
2-bromo-1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene
CID 28981493
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4718565
1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-3,5-difluorobenzene
CID 105404283
2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]-4-nitrobenzene
CID 43473008
1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene
CID 28981500
2-[(5-bromo-2-fluorophenyl)methoxy]-1-(chloromethyl)-3-ethoxybenzene
CID 43366805
2-[2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
CID 17155250
2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene
CID 146003855
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine;hydrochloride
CID 17291425
(1S)-N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 40761545
2-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107906213

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene?
The IUPAC name of 4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene (CID 28981507) is 4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene.
What is the SMILES notation for 4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene?
The canonical SMILES for 4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene is Fc1ccccc1COc1ccc(Br)cc1CCl.
What is the InChIKey of 4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene?
The InChIKey is UWKAGJGGYZQKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c15-12-5-6-14(11(7-12)8-16)18-9-10-3-1-2-4-13(10)17/h1-7H,8-9H2.
What are the key properties of 4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene?
4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene has a molecular weight of 329.60 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene is sourced from PubChem (CID 28981507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).