2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene

C14H11BrClFO2 — CID 82716215

IUPAC2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene
SMILESCOc1ccc(COc2ccc(Cl)c(F)c2)cc1Br
InChIInChI=1S/C14H11BrClFO2/c1-18-14-5-2-9(6-11(14)15)8-19-10-3-4-12(16)13(17)7-10/h2-7H,8H2,1H3
InChIKeyPVAMAAJRIUHQSB-UHFFFAOYSA-N
MW345.60 g/mol
LogP4.83
Rot. Bonds4

About 2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene

2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene (PubChem CID 82716215) has the molecular formula C14H11BrClFO2 and a molecular weight of 345.60 g/mol. Its IUPAC name is 2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene.

Molecular Properties

Compound Name2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene
PubChem CID82716215
Molecular FormulaC14H11BrClFO2
Molecular Weight345.60 g/mol
Exact Mass343.96
IUPAC Name2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene
SMILESCOc1ccc(COc2ccc(Cl)c(F)c2)cc1Br
InChIInChI=1S/C14H11BrClFO2/c1-18-14-5-2-9(6-11(14)15)8-19-10-3-4-12(16)13(17)7-10/h2-7H,8H2,1H3
InChIKeyPVAMAAJRIUHQSB-UHFFFAOYSA-N
XLogP4.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.60
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene
CID 107170178
2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60673925
[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine
CID 107879157
2-[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 107885526
1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene
CID 83133800
[3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 107882229
5-[(3-bromo-4-fluorophenoxy)methyl]-2-methoxyaniline
CID 83233823
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 82727211
(1R)-1-[4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 78933056
methyl 4-[(4-chloro-3-fluorophenoxy)methyl]-2-fluorobenzoate
CID 106698483
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 107878670

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene?
The IUPAC name of 2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene (CID 82716215) is 2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene.
What is the SMILES notation for 2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene?
The canonical SMILES for 2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene is COc1ccc(COc2ccc(Cl)c(F)c2)cc1Br.
What is the InChIKey of 2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene?
The InChIKey is PVAMAAJRIUHQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO2/c1-18-14-5-2-9(6-11(14)15)8-19-10-3-4-12(16)13(17)7-10/h2-7H,8H2,1H3.
What are the key properties of 2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene?
2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene has a molecular weight of 345.60 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene is sourced from PubChem (CID 82716215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).