1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene

C14H11Br2FO — CID 107089080

IUPAC1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene
SMILESCc1cc(Oc2ccc(CBr)cc2F)ccc1Br
InChIInChI=1S/C14H11Br2FO/c1-9-6-11(3-4-12(9)16)18-14-5-2-10(8-15)7-13(14)17/h2-7H,8H2,1H3
InChIKeyLJSJFXOTYSVGOY-UHFFFAOYSA-N
MW374.05 g/mol
LogP5.58
Rot. Bonds3

About 1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene

1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene (PubChem CID 107089080) has the molecular formula C14H11Br2FO and a molecular weight of 374.05 g/mol. Its IUPAC name is 1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene
PubChem CID107089080
Molecular FormulaC14H11Br2FO
Molecular Weight374.05 g/mol
Exact Mass371.92
IUPAC Name1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene
SMILESCc1cc(Oc2ccc(CBr)cc2F)ccc1Br
InChIInChI=1S/C14H11Br2FO/c1-9-6-11(3-4-12(9)16)18-14-5-2-10(8-15)7-13(14)17/h2-7H,8H2,1H3
InChIKeyLJSJFXOTYSVGOY-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-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene
CID 107086895
4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene
CID 107087234
1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethylbenzene
CID 107087006
4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene
CID 107087025
1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethoxybenzene
CID 107087773
1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene
CID 83133800
4-(bromomethyl)-1-(4-butylphenoxy)-2-fluorobenzene
CID 107089012
1-bromo-4-[4-(bromomethyl)-2-chlorophenoxy]-2-fluorobenzene
CID 107088717
4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene
CID 107087633
[4-(4-bromo-3-fluorophenoxy)-3-fluorophenyl]methanol
CID 65201220
1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene
CID 107087281
N-[[4-(4-bromo-3-fluorophenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 65200944

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene?
The IUPAC name of 1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene (CID 107089080) is 1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene.
What is the SMILES notation for 1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene?
The canonical SMILES for 1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene is Cc1cc(Oc2ccc(CBr)cc2F)ccc1Br.
What is the InChIKey of 1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene?
The InChIKey is LJSJFXOTYSVGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2FO/c1-9-6-11(3-4-12(9)16)18-14-5-2-10(8-15)7-13(14)17/h2-7H,8H2,1H3.
What are the key properties of 1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene?
1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene 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 1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene is sourced from PubChem (CID 107089080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).