4-[2-(bromomethyl)phenoxy]-1-fluoro-2-methylbenzene

C14H12BrFO — CID 107088974

IUPAC4-[2-(bromomethyl)phenoxy]-1-fluoro-2-methylbenzene
SMILESCc1cc(Oc2ccccc2CBr)ccc1F
InChIInChI=1S/C14H12BrFO/c1-10-8-12(6-7-13(10)16)17-14-5-3-2-4-11(14)9-15/h2-8H,9H2,1H3
InChIKeyZPZRQGLMXQDNKA-UHFFFAOYSA-N
MW295.15 g/mol
LogP4.82
Rot. Bonds3

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

4-[2-(bromomethyl)phenoxy]-1-fluoro-2-methylbenzene (PubChem CID 107088974) has the molecular formula C14H12BrFO and a molecular weight of 295.15 g/mol. Its IUPAC name is 4-[2-(bromomethyl)phenoxy]-1-fluoro-2-methylbenzene.

Molecular Properties

Compound Name4-[2-(bromomethyl)phenoxy]-1-fluoro-2-methylbenzene
PubChem CID107088974
Molecular FormulaC14H12BrFO
Molecular Weight295.15 g/mol
Exact Mass294.01
IUPAC Name4-[2-(bromomethyl)phenoxy]-1-fluoro-2-methylbenzene
SMILESCc1cc(Oc2ccccc2CBr)ccc1F
InChIInChI=1S/C14H12BrFO/c1-10-8-12(6-7-13(10)16)17-14-5-3-2-4-11(14)9-15/h2-8H,9H2,1H3
InChIKeyZPZRQGLMXQDNKA-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 54.82
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-[2-(bromomethyl)phenoxy]-1-chloro-2-methylbenzene
CID 107086359
1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane
CID 91089449
1-(bromomethyl)-2-(4-iodophenoxy)benzene
CID 107087507
[2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine
CID 107926537
[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]methanol
CID 114846231
1-(bromomethyl)-2-(4-tert-butylphenoxy)benzene
CID 75365477
4-bromo-1-(bromomethyl)-2-(3-fluoro-4-methylphenoxy)benzene
CID 107169735
1-bromo-4-[2-(bromomethyl)-5-chlorophenoxy]-2-methylbenzene
CID 107089078
[4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol
CID 63653809
4-(2-fluorophenoxy)-2-methylaniline
CID 26190288
2-bromo-1-(bromomethyl)-4-(2-ethylphenoxy)benzene
CID 114060623

Frequently Asked Questions

What is the IUPAC name of 4-[2-(bromomethyl)phenoxy]-1-fluoro-2-methylbenzene?
The IUPAC name of 4-[2-(bromomethyl)phenoxy]-1-fluoro-2-methylbenzene (CID 107088974) is 4-[2-(bromomethyl)phenoxy]-1-fluoro-2-methylbenzene.
What is the SMILES notation for 4-[2-(bromomethyl)phenoxy]-1-fluoro-2-methylbenzene?
The canonical SMILES for 4-[2-(bromomethyl)phenoxy]-1-fluoro-2-methylbenzene is Cc1cc(Oc2ccccc2CBr)ccc1F.
What is the InChIKey of 4-[2-(bromomethyl)phenoxy]-1-fluoro-2-methylbenzene?
The InChIKey is ZPZRQGLMXQDNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO/c1-10-8-12(6-7-13(10)16)17-14-5-3-2-4-11(14)9-15/h2-8H,9H2,1H3.
What are the key properties of 4-[2-(bromomethyl)phenoxy]-1-fluoro-2-methylbenzene?
4-[2-(bromomethyl)phenoxy]-1-fluoro-2-methylbenzene has a molecular weight of 295.15 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(bromomethyl)phenoxy]-1-fluoro-2-methylbenzene is sourced from PubChem (CID 107088974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).