1-(bromomethylselanyl)-4-methoxybenzene

C8H9BrOSe — CID 15584664

IUPAC1-(bromomethylselanyl)-4-methoxybenzene
SMILESCOc1ccc([Se]CBr)cc1
InChIInChI=1S/C8H9BrOSe/c1-10-7-2-4-8(5-3-7)11-6-9/h2-5H,6H2,1H3
InChIKeyNXSCQSKLFHIZGT-UHFFFAOYSA-N
MW280.02 g/mol
LogP1.38
Rot. Bonds3

About 1-(bromomethylselanyl)-4-methoxybenzene

1-(bromomethylselanyl)-4-methoxybenzene (PubChem CID 15584664) has the molecular formula C8H9BrOSe and a molecular weight of 280.02 g/mol. Its IUPAC name is 1-(bromomethylselanyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(bromomethylselanyl)-4-methoxybenzene
PubChem CID15584664
Molecular FormulaC8H9BrOSe
Molecular Weight280.02 g/mol
Exact Mass279.90
IUPAC Name1-(bromomethylselanyl)-4-methoxybenzene
SMILESCOc1ccc([Se]CBr)cc1
InChIInChI=1S/C8H9BrOSe/c1-10-7-2-4-8(5-3-7)11-6-9/h2-5H,6H2,1H3
InChIKeyNXSCQSKLFHIZGT-UHFFFAOYSA-N
XLogP1.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.02
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(bromomethylselanyl)-4-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-deuterio-1-protio(113C)ethyl)selanyl-4-methoxybenzene
CID 58500269
bis(1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene);hydrate
CID 175536149
ethyl 2-(4-methoxyphenyl)selanylacetate
CID 10635957
CID 91526706
CID 91526706
trifluoro-[4-[(4-methoxyphenyl)methylselanyl]phenyl]boranuide
CID 46239828
CID 154175564
CID 154175564
azane;2-bromo-1-(4-methoxyphenyl)ethanone
CID 118975954
N,N-diethylethanamine;1-methoxy-4-methylbenzene
CID 90934747
1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene
CID 79323342
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
CID 70390972
1-(1-bromo-2-methylpropan-2-yl)oxy-4-methoxybenzene
CID 82089720

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethylselanyl)-4-methoxybenzene?
The IUPAC name of 1-(bromomethylselanyl)-4-methoxybenzene (CID 15584664) is 1-(bromomethylselanyl)-4-methoxybenzene.
What is the SMILES notation for 1-(bromomethylselanyl)-4-methoxybenzene?
The canonical SMILES for 1-(bromomethylselanyl)-4-methoxybenzene is COc1ccc([Se]CBr)cc1.
What is the InChIKey of 1-(bromomethylselanyl)-4-methoxybenzene?
The InChIKey is NXSCQSKLFHIZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrOSe/c1-10-7-2-4-8(5-3-7)11-6-9/h2-5H,6H2,1H3.
What are the key properties of 1-(bromomethylselanyl)-4-methoxybenzene?
1-(bromomethylselanyl)-4-methoxybenzene has a molecular weight of 280.02 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethylselanyl)-4-methoxybenzene is sourced from PubChem (CID 15584664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).