2-(bromomethyl)-1-[(4-fluorophenyl)methoxy]-4-methylbenzene

C15H14BrFO — CID 63535072

IUPAC2-(bromomethyl)-1-[(4-fluorophenyl)methoxy]-4-methylbenzene
SMILESCc1ccc(OCc2ccc(F)cc2)c(CBr)c1
InChIInChI=1S/C15H14BrFO/c1-11-2-7-15(13(8-11)9-16)18-10-12-3-5-14(17)6-4-12/h2-8H,9-10H2,1H3
InChIKeyQXEDWZHBHPUOOL-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.61
Rot. Bonds4

About 2-(bromomethyl)-1-[(4-fluorophenyl)methoxy]-4-methylbenzene

2-(bromomethyl)-1-[(4-fluorophenyl)methoxy]-4-methylbenzene (PubChem CID 63535072) has the molecular formula C15H14BrFO and a molecular weight of 309.18 g/mol. Its IUPAC name is 2-(bromomethyl)-1-[(4-fluorophenyl)methoxy]-4-methylbenzene.

Molecular Properties

Compound Name2-(bromomethyl)-1-[(4-fluorophenyl)methoxy]-4-methylbenzene
PubChem CID63535072
Molecular FormulaC15H14BrFO
Molecular Weight309.18 g/mol
Exact Mass308.02
IUPAC Name2-(bromomethyl)-1-[(4-fluorophenyl)methoxy]-4-methylbenzene
SMILESCc1ccc(OCc2ccc(F)cc2)c(CBr)c1
InChIInChI=1S/C15H14BrFO/c1-11-2-7-15(13(8-11)9-16)18-10-12-3-5-14(17)6-4-12/h2-8H,9-10H2,1H3
InChIKeyQXEDWZHBHPUOOL-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.61
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

2-(bromomethyl)-4-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 89437019
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
CID 14885530
2-(bromomethyl)-4-methyl-1-[(4-propan-2-ylphenyl)methoxy]benzene
CID 63535406
1-[[2-(bromomethyl)-4-methylphenoxy]methyl]-3,5-dimethylbenzene
CID 63536416
2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698949
2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63326109
2-(bromomethyl)-1-[(3-chloro-4-fluorophenyl)methoxy]-4-methylbenzene
CID 103038481
2-(bromomethyl)-1-[(3,4-dichlorophenyl)methoxy]-4-methylbenzene
CID 63535589
2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene
CID 90051014
[5-fluoro-2-[(4-methylphenyl)methoxy]phenyl]methanol
CID 107698416
potassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide
CID 63678321
4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 107691588

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-[(4-fluorophenyl)methoxy]-4-methylbenzene?
The IUPAC name of 2-(bromomethyl)-1-[(4-fluorophenyl)methoxy]-4-methylbenzene (CID 63535072) is 2-(bromomethyl)-1-[(4-fluorophenyl)methoxy]-4-methylbenzene.
What is the SMILES notation for 2-(bromomethyl)-1-[(4-fluorophenyl)methoxy]-4-methylbenzene?
The canonical SMILES for 2-(bromomethyl)-1-[(4-fluorophenyl)methoxy]-4-methylbenzene is Cc1ccc(OCc2ccc(F)cc2)c(CBr)c1.
What is the InChIKey of 2-(bromomethyl)-1-[(4-fluorophenyl)methoxy]-4-methylbenzene?
The InChIKey is QXEDWZHBHPUOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO/c1-11-2-7-15(13(8-11)9-16)18-10-12-3-5-14(17)6-4-12/h2-8H,9-10H2,1H3.
What are the key properties of 2-(bromomethyl)-1-[(4-fluorophenyl)methoxy]-4-methylbenzene?
2-(bromomethyl)-1-[(4-fluorophenyl)methoxy]-4-methylbenzene has a molecular weight of 309.18 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-[(4-fluorophenyl)methoxy]-4-methylbenzene is sourced from PubChem (CID 63535072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).