2-(bromomethyl)-4-chloro-1-methoxybenzene

C8H8BrClO — CID 15462812

IUPAC2-(bromomethyl)-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1CBr
InChIInChI=1S/C8H8BrClO/c1-11-8-3-2-7(10)4-6(8)5-9/h2-4H,5H2,1H3
InChIKeyGWOYTRDTYUBKTJ-UHFFFAOYSA-N
MW235.51 g/mol
LogP3.24
Rot. Bonds2

About 2-(bromomethyl)-4-chloro-1-methoxybenzene

2-(bromomethyl)-4-chloro-1-methoxybenzene (PubChem CID 15462812) has the molecular formula C8H8BrClO and a molecular weight of 235.51 g/mol. Its IUPAC name is 2-(bromomethyl)-4-chloro-1-methoxybenzene.

Molecular Properties

Compound Name2-(bromomethyl)-4-chloro-1-methoxybenzene
PubChem CID15462812
Molecular FormulaC8H8BrClO
Molecular Weight235.51 g/mol
Exact Mass233.94
IUPAC Name2-(bromomethyl)-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1CBr
InChIInChI=1S/C8H8BrClO/c1-11-8-3-2-7(10)4-6(8)5-9/h2-4H,5H2,1H3
InChIKeyGWOYTRDTYUBKTJ-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.51
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-chloro-1-methoxybenzene?
The IUPAC name of 2-(bromomethyl)-4-chloro-1-methoxybenzene (CID 15462812) is 2-(bromomethyl)-4-chloro-1-methoxybenzene.
What is the SMILES notation for 2-(bromomethyl)-4-chloro-1-methoxybenzene?
The canonical SMILES for 2-(bromomethyl)-4-chloro-1-methoxybenzene is COc1ccc(Cl)cc1CBr.
What is the InChIKey of 2-(bromomethyl)-4-chloro-1-methoxybenzene?
The InChIKey is GWOYTRDTYUBKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO/c1-11-8-3-2-7(10)4-6(8)5-9/h2-4H,5H2,1H3.
What are the key properties of 2-(bromomethyl)-4-chloro-1-methoxybenzene?
2-(bromomethyl)-4-chloro-1-methoxybenzene has a molecular weight of 235.51 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-chloro-1-methoxybenzene is sourced from PubChem (CID 15462812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).