4-bromo-1-(bromomethyl)-2-(3-fluoro-4-methylphenoxy)benzene

C14H11Br2FO — CID 107169735

IUPAC4-bromo-1-(bromomethyl)-2-(3-fluoro-4-methylphenoxy)benzene
SMILESCc1ccc(Oc2cc(Br)ccc2CBr)cc1F
InChIInChI=1S/C14H11Br2FO/c1-9-2-5-12(7-13(9)17)18-14-6-11(16)4-3-10(14)8-15/h2-7H,8H2,1H3
InChIKeyXOEOQEZOYCUWSG-UHFFFAOYSA-N
MW374.05 g/mol
LogP5.58
Rot. Bonds3

About 4-bromo-1-(bromomethyl)-2-(3-fluoro-4-methylphenoxy)benzene

4-bromo-1-(bromomethyl)-2-(3-fluoro-4-methylphenoxy)benzene (PubChem CID 107169735) has the molecular formula C14H11Br2FO and a molecular weight of 374.05 g/mol. Its IUPAC name is 4-bromo-1-(bromomethyl)-2-(3-fluoro-4-methylphenoxy)benzene.

Molecular Properties

Compound Name4-bromo-1-(bromomethyl)-2-(3-fluoro-4-methylphenoxy)benzene
PubChem CID107169735
Molecular FormulaC14H11Br2FO
Molecular Weight374.05 g/mol
Exact Mass371.92
IUPAC Name4-bromo-1-(bromomethyl)-2-(3-fluoro-4-methylphenoxy)benzene
SMILESCc1ccc(Oc2cc(Br)ccc2CBr)cc1F
InChIInChI=1S/C14H11Br2FO/c1-9-2-5-12(7-13(9)17)18-14-6-11(16)4-3-10(14)8-15/h2-7H,8H2,1H3
InChIKeyXOEOQEZOYCUWSG-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.05
LogP ≤ 55.58
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-1-(bromomethyl)-2-(4-fluoro-3-methylphenoxy)benzene
CID 107088968
4-bromo-1-(bromomethyl)-2-(4-fluorophenoxy)benzene
CID 107087063
5-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-2,3-difluorobenzene
CID 107100289
4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene
CID 107170184
1-[3-bromo-4-(bromomethyl)phenoxy]-4,5-difluoro-2-methylbenzene
CID 114276748
2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine
CID 114677126
1-[5-bromo-2-(bromomethyl)phenoxy]-2,4-difluorobenzene
CID 107086532
4-bromo-1-(bromomethyl)-2-(4-methylsulfonylphenoxy)benzene
CID 107087837
1-bromo-4-[2-(bromomethyl)-5-chlorophenoxy]-2-methylbenzene
CID 107089078
4-[2-(bromomethyl)phenoxy]-1-fluoro-2-methylbenzene
CID 107088974
1-[5-bromo-2-(bromomethyl)phenoxy]-2,3-dimethylbenzene
CID 107086768
[4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83234633

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(bromomethyl)-2-(3-fluoro-4-methylphenoxy)benzene?
The IUPAC name of 4-bromo-1-(bromomethyl)-2-(3-fluoro-4-methylphenoxy)benzene (CID 107169735) is 4-bromo-1-(bromomethyl)-2-(3-fluoro-4-methylphenoxy)benzene.
What is the SMILES notation for 4-bromo-1-(bromomethyl)-2-(3-fluoro-4-methylphenoxy)benzene?
The canonical SMILES for 4-bromo-1-(bromomethyl)-2-(3-fluoro-4-methylphenoxy)benzene is Cc1ccc(Oc2cc(Br)ccc2CBr)cc1F.
What is the InChIKey of 4-bromo-1-(bromomethyl)-2-(3-fluoro-4-methylphenoxy)benzene?
The InChIKey is XOEOQEZOYCUWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2FO/c1-9-2-5-12(7-13(9)17)18-14-6-11(16)4-3-10(14)8-15/h2-7H,8H2,1H3.
What are the key properties of 4-bromo-1-(bromomethyl)-2-(3-fluoro-4-methylphenoxy)benzene?
4-bromo-1-(bromomethyl)-2-(3-fluoro-4-methylphenoxy)benzene has a molecular weight of 374.05 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(bromomethyl)-2-(3-fluoro-4-methylphenoxy)benzene is sourced from PubChem (CID 107169735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).