2-bromo-4-methoxy-1-methylbenzene

C8H9BrO — CID 520288

IUPAC2-bromo-4-methoxy-1-methylbenzene
SMILESCOc1ccc(C)c(Br)c1
InChIInChI=1S/C8H9BrO/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,1-2H3
InChIKeyMGRYVEDNIGXKQE-UHFFFAOYSA-N
MW201.06 g/mol
LogP2.77
Rot. Bonds1

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

2-bromo-4-methoxy-1-methylbenzene (PubChem CID 520288) has the molecular formula C8H9BrO and a molecular weight of 201.06 g/mol. Its IUPAC name is 2-bromo-4-methoxy-1-methylbenzene.

Molecular Properties

Compound Name2-bromo-4-methoxy-1-methylbenzene
PubChem CID520288
Molecular FormulaC8H9BrO
Molecular Weight201.06 g/mol
Exact Mass199.98
IUPAC Name2-bromo-4-methoxy-1-methylbenzene
SMILESCOc1ccc(C)c(Br)c1
InChIInChI=1S/C8H9BrO/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,1-2H3
InChIKeyMGRYVEDNIGXKQE-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-1-methylbenzene?
The IUPAC name of 2-bromo-4-methoxy-1-methylbenzene (CID 520288) is 2-bromo-4-methoxy-1-methylbenzene.
What is the SMILES notation for 2-bromo-4-methoxy-1-methylbenzene?
The canonical SMILES for 2-bromo-4-methoxy-1-methylbenzene is COc1ccc(C)c(Br)c1.
What is the InChIKey of 2-bromo-4-methoxy-1-methylbenzene?
The InChIKey is MGRYVEDNIGXKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,1-2H3.
What are the key properties of 2-bromo-4-methoxy-1-methylbenzene?
2-bromo-4-methoxy-1-methylbenzene has a molecular weight of 201.06 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxy-1-methylbenzene is sourced from PubChem (CID 520288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).