3-[(5-bromo-2-methoxyphenyl)methoxy]-1,2,4,5-tetrafluorobenzene

C14H9BrF4O2 — CID 103289758

IUPAC3-[(5-bromo-2-methoxyphenyl)methoxy]-1,2,4,5-tetrafluorobenzene
SMILESCOc1ccc(Br)cc1COc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C14H9BrF4O2/c1-20-11-3-2-8(15)4-7(11)6-21-14-12(18)9(16)5-10(17)13(14)19/h2-5H,6H2,1H3
InChIKeySPVKXVUUMJAEJU-UHFFFAOYSA-N
MW365.12 g/mol
LogP4.59
Rot. Bonds4

About 3-[(5-bromo-2-methoxyphenyl)methoxy]-1,2,4,5-tetrafluorobenzene

3-[(5-bromo-2-methoxyphenyl)methoxy]-1,2,4,5-tetrafluorobenzene (PubChem CID 103289758) has the molecular formula C14H9BrF4O2 and a molecular weight of 365.12 g/mol. Its IUPAC name is 3-[(5-bromo-2-methoxyphenyl)methoxy]-1,2,4,5-tetrafluorobenzene.

Molecular Properties

Compound Name3-[(5-bromo-2-methoxyphenyl)methoxy]-1,2,4,5-tetrafluorobenzene
PubChem CID103289758
Molecular FormulaC14H9BrF4O2
Molecular Weight365.12 g/mol
Exact Mass363.97
IUPAC Name3-[(5-bromo-2-methoxyphenyl)methoxy]-1,2,4,5-tetrafluorobenzene
SMILESCOc1ccc(Br)cc1COc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C14H9BrF4O2/c1-20-11-3-2-8(15)4-7(11)6-21-14-12(18)9(16)5-10(17)13(14)19/h2-5H,6H2,1H3
InChIKeySPVKXVUUMJAEJU-UHFFFAOYSA-N
XLogP4.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.12
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methoxy]-1-(bromomethyl)-3-fluorobenzene
CID 115956804
2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene
CID 63458235
2-bromo-4-[(5-bromo-2-methoxyphenyl)methoxy]-1-fluorobenzene
CID 83233054
4-[(5-bromo-2-methoxyphenyl)methoxy]phenol
CID 54971308
N-[(5-bromo-2-methoxyphenyl)methyl]-3,4,5-trifluoroaniline
CID 62810813
4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene
CID 60666586
2-[(5-bromo-2-fluorophenyl)methoxy]-5-chloro-1-(chloromethyl)-3-methoxybenzene
CID 104666298
4-bromo-2-(2,2-difluoroethoxymethyl)-1-methoxybenzene
CID 82006552
1-[3-[(5-bromo-2-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone
CID 115918445
3-[(5-bromo-2,3-difluorophenoxy)methyl]-4-methoxybenzonitrile
CID 107098307
2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 104794308
1-[(5-bromo-2-methoxyphenyl)methoxy]-2-(bromomethyl)-4-methylbenzene
CID 63535753

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methoxy]-1,2,4,5-tetrafluorobenzene?
The IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methoxy]-1,2,4,5-tetrafluorobenzene (CID 103289758) is 3-[(5-bromo-2-methoxyphenyl)methoxy]-1,2,4,5-tetrafluorobenzene.
What is the SMILES notation for 3-[(5-bromo-2-methoxyphenyl)methoxy]-1,2,4,5-tetrafluorobenzene?
The canonical SMILES for 3-[(5-bromo-2-methoxyphenyl)methoxy]-1,2,4,5-tetrafluorobenzene is COc1ccc(Br)cc1COc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 3-[(5-bromo-2-methoxyphenyl)methoxy]-1,2,4,5-tetrafluorobenzene?
The InChIKey is SPVKXVUUMJAEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF4O2/c1-20-11-3-2-8(15)4-7(11)6-21-14-12(18)9(16)5-10(17)13(14)19/h2-5H,6H2,1H3.
What are the key properties of 3-[(5-bromo-2-methoxyphenyl)methoxy]-1,2,4,5-tetrafluorobenzene?
3-[(5-bromo-2-methoxyphenyl)methoxy]-1,2,4,5-tetrafluorobenzene has a molecular weight of 365.12 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methoxyphenyl)methoxy]-1,2,4,5-tetrafluorobenzene is sourced from PubChem (CID 103289758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).