2-(5-bromo-2-trityloxyphenyl)-1,3-dioxolane

C28H23BrO3 — CID 4988550

IUPAC2-(5-bromo-2-trityloxyphenyl)-1,3-dioxolane
SMILESBrc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)c(C2OCCO2)c1
InChIInChI=1S/C28H23BrO3/c29-24-16-17-26(25(20-24)27-30-18-19-31-27)32-28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-17,20,27H,18-19H2
InChIKeyIONBEWLKWSJGRD-UHFFFAOYSA-N
MW487.39 g/mol
LogP6.87
Rot. Bonds6

About 2-(5-bromo-2-trityloxyphenyl)-1,3-dioxolane

2-(5-bromo-2-trityloxyphenyl)-1,3-dioxolane (PubChem CID 4988550) has the molecular formula C28H23BrO3 and a molecular weight of 487.39 g/mol. Its IUPAC name is 2-(5-bromo-2-trityloxyphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(5-bromo-2-trityloxyphenyl)-1,3-dioxolane
PubChem CID4988550
Molecular FormulaC28H23BrO3
Molecular Weight487.39 g/mol
Exact Mass486.08
IUPAC Name2-(5-bromo-2-trityloxyphenyl)-1,3-dioxolane
SMILESBrc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)c(C2OCCO2)c1
InChIInChI=1S/C28H23BrO3/c29-24-16-17-26(25(20-24)27-30-18-19-31-27)32-28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-17,20,27H,18-19H2
InChIKeyIONBEWLKWSJGRD-UHFFFAOYSA-N
XLogP6.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.39
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-trityloxyphenyl)-1,3-dioxolane?
The IUPAC name of 2-(5-bromo-2-trityloxyphenyl)-1,3-dioxolane (CID 4988550) is 2-(5-bromo-2-trityloxyphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(5-bromo-2-trityloxyphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(5-bromo-2-trityloxyphenyl)-1,3-dioxolane is Brc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)c(C2OCCO2)c1.
What is the InChIKey of 2-(5-bromo-2-trityloxyphenyl)-1,3-dioxolane?
The InChIKey is IONBEWLKWSJGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23BrO3/c29-24-16-17-26(25(20-24)27-30-18-19-31-27)32-28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-17,20,27H,18-19H2.
What are the key properties of 2-(5-bromo-2-trityloxyphenyl)-1,3-dioxolane?
2-(5-bromo-2-trityloxyphenyl)-1,3-dioxolane has a molecular weight of 487.39 g/mol, XLogP of 6.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-trityloxyphenyl)-1,3-dioxolane is sourced from PubChem (CID 4988550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).