2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene

C15H14BrFO2 — CID 107170178

IUPAC2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene
SMILESCOc1ccc(COc2ccc(C)c(F)c2)cc1Br
InChIInChI=1S/C15H14BrFO2/c1-10-3-5-12(8-14(10)17)19-9-11-4-6-15(18-2)13(16)7-11/h3-8H,9H2,1-2H3
InChIKeyZUHLHQWNDBKPEA-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.48
Rot. Bonds4

About 2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene

2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene (PubChem CID 107170178) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is 2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene.

Molecular Properties

Compound Name2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene
PubChem CID107170178
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene
SMILESCOc1ccc(COc2ccc(C)c(F)c2)cc1Br
InChIInChI=1S/C15H14BrFO2/c1-10-3-5-12(8-14(10)17)19-9-11-4-6-15(18-2)13(16)7-11/h3-8H,9H2,1-2H3
InChIKeyZUHLHQWNDBKPEA-UHFFFAOYSA-N
XLogP4.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene
CID 82716215
1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene
CID 83133800
2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene
CID 63458365
1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene
CID 65202941
4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene
CID 81421870
1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene
CID 83134055
4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene
CID 107170182
5-[(3-bromo-4-fluorophenoxy)methyl]-2-methoxyaniline
CID 83233823
2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene
CID 117221925
2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60673925
(1R)-1-[4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 78933056
methyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate
CID 60673471

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene?
The IUPAC name of 2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene (CID 107170178) is 2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene.
What is the SMILES notation for 2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene?
The canonical SMILES for 2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene is COc1ccc(COc2ccc(C)c(F)c2)cc1Br.
What is the InChIKey of 2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene?
The InChIKey is ZUHLHQWNDBKPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-10-3-5-12(8-14(10)17)19-9-11-4-6-15(18-2)13(16)7-11/h3-8H,9H2,1-2H3.
What are the key properties of 2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene?
2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene has a molecular weight of 325.18 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene is sourced from PubChem (CID 107170178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).