1-bromo-4-methoxybenzene

C7H7BrO — CID 7730

IUPAC1-bromo-4-methoxybenzene
SMILESCOc1ccc(Br)cc1
InChIInChI=1S/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKeyQJPJQTDYNZXKQF-UHFFFAOYSA-N
MW187.04 g/mol
LogP2.46
Rot. Bonds1

About 1-bromo-4-methoxybenzene

1-bromo-4-methoxybenzene (PubChem CID 7730) has the molecular formula C7H7BrO and a molecular weight of 187.04 g/mol. Its IUPAC name is 1-bromo-4-methoxybenzene.

Molecular Properties

Compound Name1-bromo-4-methoxybenzene
PubChem CID7730
Molecular FormulaC7H7BrO
Molecular Weight187.04 g/mol
Exact Mass185.97
IUPAC Name1-bromo-4-methoxybenzene
SMILESCOc1ccc(Br)cc1
InChIInChI=1S/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKeyQJPJQTDYNZXKQF-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methoxybenzene?
The IUPAC name of 1-bromo-4-methoxybenzene (CID 7730) is 1-bromo-4-methoxybenzene.
What is the SMILES notation for 1-bromo-4-methoxybenzene?
The canonical SMILES for 1-bromo-4-methoxybenzene is COc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-methoxybenzene?
The InChIKey is QJPJQTDYNZXKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3.
What are the key properties of 1-bromo-4-methoxybenzene?
1-bromo-4-methoxybenzene has a molecular weight of 187.04 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methoxybenzene is sourced from PubChem (CID 7730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).