[2-(bromomethyl)-3-(2-methoxyphenyl)propyl]-trimethylsilane

C14H23BrOSi — CID 106324211

IUPAC[2-(bromomethyl)-3-(2-methoxyphenyl)propyl]-trimethylsilane
SMILESCOc1ccccc1CC(CBr)C[Si](C)(C)C
InChIInChI=1S/C14H23BrOSi/c1-16-14-8-6-5-7-13(14)9-12(10-15)11-17(2,3)4/h5-8,12H,9-11H2,1-4H3
InChIKeySZSGXISVUZNQPJ-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.59
Rot. Bonds6

About [2-(bromomethyl)-3-(2-methoxyphenyl)propyl]-trimethylsilane

[2-(bromomethyl)-3-(2-methoxyphenyl)propyl]-trimethylsilane (PubChem CID 106324211) has the molecular formula C14H23BrOSi and a molecular weight of 315.33 g/mol. Its IUPAC name is [2-(bromomethyl)-3-(2-methoxyphenyl)propyl]-trimethylsilane.

Molecular Properties

Compound Name[2-(bromomethyl)-3-(2-methoxyphenyl)propyl]-trimethylsilane
PubChem CID106324211
Molecular FormulaC14H23BrOSi
Molecular Weight315.33 g/mol
Exact Mass314.07
IUPAC Name[2-(bromomethyl)-3-(2-methoxyphenyl)propyl]-trimethylsilane
SMILESCOc1ccccc1CC(CBr)C[Si](C)(C)C
InChIInChI=1S/C14H23BrOSi/c1-16-14-8-6-5-7-13(14)9-12(10-15)11-17(2,3)4/h5-8,12H,9-11H2,1-4H3
InChIKeySZSGXISVUZNQPJ-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.59
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'}

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Related Compounds

1-[2-(bromomethyl)-5-methylhexyl]-2-methoxybenzene
CID 66041959
1-[2-(bromomethyl)-3-(4-iodophenyl)propyl]-2-methoxybenzene
CID 66041158
1-[2-(bromomethyl)-4-methylsulfonylbutyl]-2-methoxybenzene
CID 66041153
5-[3-(bromomethyl)-4-(2-methoxyphenyl)butyl]-1-methylpyrazole
CID 103018527
1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2-methoxybenzene
CID 66041110
1-[2-(bromomethyl)-5-ethylsulfonylpentyl]-2-methoxybenzene
CID 66041761
5-[2-(bromomethyl)-3-(2-methoxyphenyl)propyl]-3-ethyl-1-methylpyrazole
CID 66043765
1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
4-bromo-2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1-methoxybenzene
CID 66041337
1-[2-(chloromethyl)butyl]-2-methoxybenzene
CID 66035902
1-(4-bromo-2-methylpentyl)-2-methoxybenzene
CID 64721690
2-[4-(bromomethyl)-5-(2-methoxyphenyl)pentyl]oxolane
CID 66042561

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-3-(2-methoxyphenyl)propyl]-trimethylsilane?
The IUPAC name of [2-(bromomethyl)-3-(2-methoxyphenyl)propyl]-trimethylsilane (CID 106324211) is [2-(bromomethyl)-3-(2-methoxyphenyl)propyl]-trimethylsilane.
What is the SMILES notation for [2-(bromomethyl)-3-(2-methoxyphenyl)propyl]-trimethylsilane?
The canonical SMILES for [2-(bromomethyl)-3-(2-methoxyphenyl)propyl]-trimethylsilane is COc1ccccc1CC(CBr)C[Si](C)(C)C.
What is the InChIKey of [2-(bromomethyl)-3-(2-methoxyphenyl)propyl]-trimethylsilane?
The InChIKey is SZSGXISVUZNQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrOSi/c1-16-14-8-6-5-7-13(14)9-12(10-15)11-17(2,3)4/h5-8,12H,9-11H2,1-4H3.
What are the key properties of [2-(bromomethyl)-3-(2-methoxyphenyl)propyl]-trimethylsilane?
[2-(bromomethyl)-3-(2-methoxyphenyl)propyl]-trimethylsilane has a molecular weight of 315.33 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-3-(2-methoxyphenyl)propyl]-trimethylsilane is sourced from PubChem (CID 106324211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).