(6-bromo-8-fluoro-4-methyl-1,3-dihydroisochromen-4-yl)oxy-trimethylsilane

C13H18BrFO2Si — CID 166172423

IUPAC(6-bromo-8-fluoro-4-methyl-1,3-dihydroisochromen-4-yl)oxy-trimethylsilane
SMILESCC1(O[Si](C)(C)C)COCc2c(F)cc(Br)cc21
InChIInChI=1S/C13H18BrFO2Si/c1-13(17-18(2,3)4)8-16-7-10-11(13)5-9(14)6-12(10)15/h5-6H,7-8H2,1-4H3
InChIKeyVUDRSMZRVVVURQ-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.19
Rot. Bonds2

About (6-bromo-8-fluoro-4-methyl-1,3-dihydroisochromen-4-yl)oxy-trimethylsilane

(6-bromo-8-fluoro-4-methyl-1,3-dihydroisochromen-4-yl)oxy-trimethylsilane (PubChem CID 166172423) has the molecular formula C13H18BrFO2Si and a molecular weight of 333.27 g/mol. Its IUPAC name is (6-bromo-8-fluoro-4-methyl-1,3-dihydroisochromen-4-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(6-bromo-8-fluoro-4-methyl-1,3-dihydroisochromen-4-yl)oxy-trimethylsilane
PubChem CID166172423
Molecular FormulaC13H18BrFO2Si
Molecular Weight333.27 g/mol
Exact Mass332.02
IUPAC Name(6-bromo-8-fluoro-4-methyl-1,3-dihydroisochromen-4-yl)oxy-trimethylsilane
SMILESCC1(O[Si](C)(C)C)COCc2c(F)cc(Br)cc21
InChIInChI=1S/C13H18BrFO2Si/c1-13(17-18(2,3)4)8-16-7-10-11(13)5-9(14)6-12(10)15/h5-6H,7-8H2,1-4H3
InChIKeyVUDRSMZRVVVURQ-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-8-fluoro-4-methyl-1,3-dihydroisochromen-4-yl)oxy-trimethylsilane?
The IUPAC name of (6-bromo-8-fluoro-4-methyl-1,3-dihydroisochromen-4-yl)oxy-trimethylsilane (CID 166172423) is (6-bromo-8-fluoro-4-methyl-1,3-dihydroisochromen-4-yl)oxy-trimethylsilane.
What is the SMILES notation for (6-bromo-8-fluoro-4-methyl-1,3-dihydroisochromen-4-yl)oxy-trimethylsilane?
The canonical SMILES for (6-bromo-8-fluoro-4-methyl-1,3-dihydroisochromen-4-yl)oxy-trimethylsilane is CC1(O[Si](C)(C)C)COCc2c(F)cc(Br)cc21.
What is the InChIKey of (6-bromo-8-fluoro-4-methyl-1,3-dihydroisochromen-4-yl)oxy-trimethylsilane?
The InChIKey is VUDRSMZRVVVURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFO2Si/c1-13(17-18(2,3)4)8-16-7-10-11(13)5-9(14)6-12(10)15/h5-6H,7-8H2,1-4H3.
What are the key properties of (6-bromo-8-fluoro-4-methyl-1,3-dihydroisochromen-4-yl)oxy-trimethylsilane?
(6-bromo-8-fluoro-4-methyl-1,3-dihydroisochromen-4-yl)oxy-trimethylsilane has a molecular weight of 333.27 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-8-fluoro-4-methyl-1,3-dihydroisochromen-4-yl)oxy-trimethylsilane is sourced from PubChem (CID 166172423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).