4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene

C16H16BrFO2 — CID 107087633

IUPAC4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene
SMILESCOCCc1ccc(Oc2ccc(CBr)cc2F)cc1
InChIInChI=1S/C16H16BrFO2/c1-19-9-8-12-2-5-14(6-3-12)20-16-7-4-13(11-17)10-15(16)18/h2-7,10H,8-9,11H2,1H3
InChIKeyZYJKBQPFUIMULL-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.70
Rot. Bonds6

About 4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene

4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene (PubChem CID 107087633) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is 4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene.

Molecular Properties

Compound Name4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene
PubChem CID107087633
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene
SMILESCOCCc1ccc(Oc2ccc(CBr)cc2F)cc1
InChIInChI=1S/C16H16BrFO2/c1-19-9-8-12-2-5-14(6-3-12)20-16-7-4-13(11-17)10-15(16)18/h2-7,10H,8-9,11H2,1H3
InChIKeyZYJKBQPFUIMULL-UHFFFAOYSA-N
XLogP4.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene
CID 107087234
4-(bromomethyl)-1-(4-butylphenoxy)-2-fluorobenzene
CID 107089012
4-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene
CID 107086895
1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethoxybenzene
CID 107087773
(1R)-1-[3-fluoro-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
CID 63372547
1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethylbenzene
CID 107087006
1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene
CID 107089080
4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene
CID 107087025
4-(bromomethyl)-2-fluoro-1-(2-methoxyphenoxy)benzene
CID 107087181
3-[4-(bromomethyl)-2-fluorophenoxy]-5-methoxybenzonitrile
CID 107089456
4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene
CID 107691631
4-(bromomethyl)-2-fluoro-1-[2-(3-methoxypropoxy)ethoxy]benzene
CID 107691568

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene?
The IUPAC name of 4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene (CID 107087633) is 4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene.
What is the SMILES notation for 4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene?
The canonical SMILES for 4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene is COCCc1ccc(Oc2ccc(CBr)cc2F)cc1.
What is the InChIKey of 4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene?
The InChIKey is ZYJKBQPFUIMULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO2/c1-19-9-8-12-2-5-14(6-3-12)20-16-7-4-13(11-17)10-15(16)18/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene?
4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene has a molecular weight of 339.20 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene is sourced from PubChem (CID 107087633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).