1-bromo-5-fluoro-2-methoxy-4-methylbenzene

C8H8BrFO — CID 57022351

IUPAC1-bromo-5-fluoro-2-methoxy-4-methylbenzene
SMILESCOc1cc(C)c(F)cc1Br
InChIInChI=1S/C8H8BrFO/c1-5-3-8(11-2)6(9)4-7(5)10/h3-4H,1-2H3
InChIKeyNYCQPWWRAJTUAD-UHFFFAOYSA-N
MW219.05 g/mol
LogP2.91
Rot. Bonds1

About 1-bromo-5-fluoro-2-methoxy-4-methylbenzene

1-bromo-5-fluoro-2-methoxy-4-methylbenzene (PubChem CID 57022351) has the molecular formula C8H8BrFO and a molecular weight of 219.05 g/mol. Its IUPAC name is 1-bromo-5-fluoro-2-methoxy-4-methylbenzene.

Molecular Properties

Compound Name1-bromo-5-fluoro-2-methoxy-4-methylbenzene
PubChem CID57022351
Molecular FormulaC8H8BrFO
Molecular Weight219.05 g/mol
Exact Mass217.97
IUPAC Name1-bromo-5-fluoro-2-methoxy-4-methylbenzene
SMILESCOc1cc(C)c(F)cc1Br
InChIInChI=1S/C8H8BrFO/c1-5-3-8(11-2)6(9)4-7(5)10/h3-4H,1-2H3
InChIKeyNYCQPWWRAJTUAD-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

1-bromo-4-ethyl-5-fluoro-2-methoxybenzene
CID 144671819
1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
CID 164894745
1-fluoro-5-isocyano-4-methoxy-2-methylbenzene
CID 20785387
5-bromo-4-methoxy-2-methylbenzenediazonium
CID 87141398
(4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 105056482
N-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-N-methylhydroxylamine
CID 84807291
2-bromo-4-fluoro-5-methylphenol
CID 84672831
1-bromo-2,4-difluoro-5-methoxybenzene
CID 68809379
1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide
CID 157211395
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656
2-bromo-4-fluoro-5-methoxybenzenethiol
CID 171006071
1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
CID 84810981

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-fluoro-2-methoxy-4-methylbenzene?
The IUPAC name of 1-bromo-5-fluoro-2-methoxy-4-methylbenzene (CID 57022351) is 1-bromo-5-fluoro-2-methoxy-4-methylbenzene.
What is the SMILES notation for 1-bromo-5-fluoro-2-methoxy-4-methylbenzene?
The canonical SMILES for 1-bromo-5-fluoro-2-methoxy-4-methylbenzene is COc1cc(C)c(F)cc1Br.
What is the InChIKey of 1-bromo-5-fluoro-2-methoxy-4-methylbenzene?
The InChIKey is NYCQPWWRAJTUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO/c1-5-3-8(11-2)6(9)4-7(5)10/h3-4H,1-2H3.
What are the key properties of 1-bromo-5-fluoro-2-methoxy-4-methylbenzene?
1-bromo-5-fluoro-2-methoxy-4-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 1-bromo-5-fluoro-2-methoxy-4-methylbenzene is sourced from PubChem (CID 57022351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).