2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene

C14H11BrF2O2 — CID 63458235

IUPAC2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene
SMILESCOc1ccc(Br)cc1COc1cc(F)ccc1F
InChIInChI=1S/C14H11BrF2O2/c1-18-13-5-2-10(15)6-9(13)8-19-14-7-11(16)3-4-12(14)17/h2-7H,8H2,1H3
InChIKeyXVTSSLXGHFTJQZ-UHFFFAOYSA-N
MW329.14 g/mol
LogP4.31
Rot. Bonds4

About 2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene

2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene (PubChem CID 63458235) has the molecular formula C14H11BrF2O2 and a molecular weight of 329.14 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene
PubChem CID63458235
Molecular FormulaC14H11BrF2O2
Molecular Weight329.14 g/mol
Exact Mass327.99
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene
SMILESCOc1ccc(Br)cc1COc1cc(F)ccc1F
InChIInChI=1S/C14H11BrF2O2/c1-18-13-5-2-10(15)6-9(13)8-19-14-7-11(16)3-4-12(14)17/h2-7H,8H2,1H3
InChIKeyXVTSSLXGHFTJQZ-UHFFFAOYSA-N
XLogP4.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-[(5-bromo-2-methoxyphenyl)methoxy]-1-fluorobenzene
CID 83233054
1-[3-[(5-bromo-2-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone
CID 115918445
3-[(5-bromo-2-methoxyphenyl)methoxy]-1,2,4,5-tetrafluorobenzene
CID 103289758
2-[(5-bromo-2-fluorophenoxy)methyl]-5-fluoroaniline
CID 114671796
2-[(5-bromo-2-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene
CID 114672725
2-bromo-1-[(5-bromo-2-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707288
1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene
CID 63457710
2-[(5-bromo-2-methylphenoxy)methyl]-4-chloro-1-methoxybenzene
CID 107284239
3-[(2-bromo-4-fluorophenoxy)methyl]-4-methoxyaniline
CID 43247179
1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 62369042
2-[(5-bromo-2-methoxyphenyl)methoxy]-1-(bromomethyl)-3-fluorobenzene
CID 115956804
4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene
CID 55225136

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene (CID 63458235) is 2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene is COc1ccc(Br)cc1COc1cc(F)ccc1F.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene?
The InChIKey is XVTSSLXGHFTJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O2/c1-18-13-5-2-10(15)6-9(13)8-19-14-7-11(16)3-4-12(14)17/h2-7H,8H2,1H3.
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene?
2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene has a molecular weight of 329.14 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene is sourced from PubChem (CID 63458235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).