5-bromo-2-chloro-1,3-dimethoxybenzene

C8H8BrClO2 — CID 22557902

IUPAC5-bromo-2-chloro-1,3-dimethoxybenzene
SMILESCOc1cc(Br)cc(OC)c1Cl
InChIInChI=1S/C8H8BrClO2/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3
InChIKeyNMOAOMYTJQDCES-UHFFFAOYSA-N
MW251.51 g/mol
LogP3.12
Rot. Bonds2

About 5-bromo-2-chloro-1,3-dimethoxybenzene

5-bromo-2-chloro-1,3-dimethoxybenzene (PubChem CID 22557902) has the molecular formula C8H8BrClO2 and a molecular weight of 251.51 g/mol. Its IUPAC name is 5-bromo-2-chloro-1,3-dimethoxybenzene.

Molecular Properties

Compound Name5-bromo-2-chloro-1,3-dimethoxybenzene
PubChem CID22557902
Molecular FormulaC8H8BrClO2
Molecular Weight251.51 g/mol
Exact Mass249.94
IUPAC Name5-bromo-2-chloro-1,3-dimethoxybenzene
SMILESCOc1cc(Br)cc(OC)c1Cl
InChIInChI=1S/C8H8BrClO2/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3
InChIKeyNMOAOMYTJQDCES-UHFFFAOYSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.51
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-1,3-dimethoxybenzene?
The IUPAC name of 5-bromo-2-chloro-1,3-dimethoxybenzene (CID 22557902) is 5-bromo-2-chloro-1,3-dimethoxybenzene.
What is the SMILES notation for 5-bromo-2-chloro-1,3-dimethoxybenzene?
The canonical SMILES for 5-bromo-2-chloro-1,3-dimethoxybenzene is COc1cc(Br)cc(OC)c1Cl.
What is the InChIKey of 5-bromo-2-chloro-1,3-dimethoxybenzene?
The InChIKey is NMOAOMYTJQDCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO2/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3.
What are the key properties of 5-bromo-2-chloro-1,3-dimethoxybenzene?
5-bromo-2-chloro-1,3-dimethoxybenzene has a molecular weight of 251.51 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-1,3-dimethoxybenzene is sourced from PubChem (CID 22557902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).