4-bromo-2-methoxy-1-methylbenzene

C8H9BrO — CID 14643080

IUPAC4-bromo-2-methoxy-1-methylbenzene
SMILESCOc1cc(Br)ccc1C
InChIInChI=1S/C8H9BrO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,1-2H3
InChIKeyRAQYGVDRDNKTOM-UHFFFAOYSA-N
MW201.06 g/mol
LogP2.77
Rot. Bonds1

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

4-bromo-2-methoxy-1-methylbenzene (PubChem CID 14643080) has the molecular formula C8H9BrO and a molecular weight of 201.06 g/mol. Its IUPAC name is 4-bromo-2-methoxy-1-methylbenzene.

Molecular Properties

Compound Name4-bromo-2-methoxy-1-methylbenzene
PubChem CID14643080
Molecular FormulaC8H9BrO
Molecular Weight201.06 g/mol
Exact Mass199.98
IUPAC Name4-bromo-2-methoxy-1-methylbenzene
SMILESCOc1cc(Br)ccc1C
InChIInChI=1S/C8H9BrO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,1-2H3
InChIKeyRAQYGVDRDNKTOM-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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Related Compounds

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1-Bromo-4-phenylmethoxybenzene
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CID 97101
4-Bromo-2,5-dimethoxytoluene
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-1-methylbenzene?
The IUPAC name of 4-bromo-2-methoxy-1-methylbenzene (CID 14643080) is 4-bromo-2-methoxy-1-methylbenzene.
What is the SMILES notation for 4-bromo-2-methoxy-1-methylbenzene?
The canonical SMILES for 4-bromo-2-methoxy-1-methylbenzene is COc1cc(Br)ccc1C.
What is the InChIKey of 4-bromo-2-methoxy-1-methylbenzene?
The InChIKey is RAQYGVDRDNKTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,1-2H3.
What are the key properties of 4-bromo-2-methoxy-1-methylbenzene?
4-bromo-2-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 4-bromo-2-methoxy-1-methylbenzene is sourced from PubChem (CID 14643080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).