5-bromo-2-fluoro-1-methoxy-3-methylbenzene

C8H8BrFO — CID 74891119

IUPAC5-bromo-2-fluoro-1-methoxy-3-methylbenzene
SMILESCOc1cc(Br)cc(C)c1F
InChIInChI=1S/C8H8BrFO/c1-5-3-6(9)4-7(11-2)8(5)10/h3-4H,1-2H3
InChIKeyBNLXSNQTRFKATL-UHFFFAOYSA-N
MW219.05 g/mol
LogP2.91
Rot. Bonds1

About 5-bromo-2-fluoro-1-methoxy-3-methylbenzene

5-bromo-2-fluoro-1-methoxy-3-methylbenzene (PubChem CID 74891119) has the molecular formula C8H8BrFO and a molecular weight of 219.05 g/mol. Its IUPAC name is 5-bromo-2-fluoro-1-methoxy-3-methylbenzene.

Molecular Properties

Compound Name5-bromo-2-fluoro-1-methoxy-3-methylbenzene
PubChem CID74891119
Molecular FormulaC8H8BrFO
Molecular Weight219.05 g/mol
Exact Mass217.97
IUPAC Name5-bromo-2-fluoro-1-methoxy-3-methylbenzene
SMILESCOc1cc(Br)cc(C)c1F
InChIInChI=1S/C8H8BrFO/c1-5-3-6(9)4-7(11-2)8(5)10/h3-4H,1-2H3
InChIKeyBNLXSNQTRFKATL-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.05
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 162421202
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3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide
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5-bromo-2-chloro-1,3-dimethoxybenzene
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5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene
CID 164894429
magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride
CID 173037834
1-bromo-5-fluoro-2-methoxy-4-methylbenzene
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2-fluoro-1-methoxy-5-(3-methoxypropoxy)-3-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-1-methoxy-3-methylbenzene?
The IUPAC name of 5-bromo-2-fluoro-1-methoxy-3-methylbenzene (CID 74891119) is 5-bromo-2-fluoro-1-methoxy-3-methylbenzene.
What is the SMILES notation for 5-bromo-2-fluoro-1-methoxy-3-methylbenzene?
The canonical SMILES for 5-bromo-2-fluoro-1-methoxy-3-methylbenzene is COc1cc(Br)cc(C)c1F.
What is the InChIKey of 5-bromo-2-fluoro-1-methoxy-3-methylbenzene?
The InChIKey is BNLXSNQTRFKATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO/c1-5-3-6(9)4-7(11-2)8(5)10/h3-4H,1-2H3.
What are the key properties of 5-bromo-2-fluoro-1-methoxy-3-methylbenzene?
5-bromo-2-fluoro-1-methoxy-3-methylbenzene has a molecular weight of 219.05 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-1-methoxy-3-methylbenzene is sourced from PubChem (CID 74891119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).