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

C8H7BrClFO — CID 84707952

IUPAC3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene
SMILESCOc1c(Cl)cc(F)c(C)c1Br
InChIInChI=1S/C8H7BrClFO/c1-4-6(11)3-5(10)8(12-2)7(4)9/h3H,1-2H3
InChIKeyAGNYLCYJSZOLPB-UHFFFAOYSA-N
MW253.50 g/mol
LogP3.56
Rot. Bonds1

About 3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene

3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene (PubChem CID 84707952) has the molecular formula C8H7BrClFO and a molecular weight of 253.50 g/mol. Its IUPAC name is 3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene.

Molecular Properties

Compound Name3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene
PubChem CID84707952
Molecular FormulaC8H7BrClFO
Molecular Weight253.50 g/mol
Exact Mass251.94
IUPAC Name3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene
SMILESCOc1c(Cl)cc(F)c(C)c1Br
InChIInChI=1S/C8H7BrClFO/c1-4-6(11)3-5(10)8(12-2)7(4)9/h3H,1-2H3
InChIKeyAGNYLCYJSZOLPB-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.50
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-5-fluoro-2-methoxy-6-methylphenol
CID 84662913
2-bromo-6-chloro-4-fluoro-3-methylaniline
CID 56965564
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine
CID 117335610
1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene
CID 84711440
4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene
CID 84711447
1,5-dichloro-2,4-dimethoxy-3-methylbenzene
CID 58961638
1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-one
CID 84694021
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol
CID 117337268
1-chloro-5-fluoro-4-methoxy-2-methyl-3-propan-2-ylbenzene
CID 130224423
2-bromo-5-chloro-6-methoxy-3-methylphenol
CID 84707480
2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 88540322
1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid
CID 117400321

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene?
The IUPAC name of 3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene (CID 84707952) is 3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene.
What is the SMILES notation for 3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene?
The canonical SMILES for 3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene is COc1c(Cl)cc(F)c(C)c1Br.
What is the InChIKey of 3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene?
The InChIKey is AGNYLCYJSZOLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClFO/c1-4-6(11)3-5(10)8(12-2)7(4)9/h3H,1-2H3.
What are the key properties of 3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene?
3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene has a molecular weight of 253.50 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene is sourced from PubChem (CID 84707952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).