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

C28H24O3 — CID 173251485

IUPAC2-(2-trityloxyphenyl)-1,3-dioxolane
SMILESc1ccc(C(Oc2ccccc2C2OCCO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24O3/c1-4-12-22(13-5-1)28(23-14-6-2-7-15-23,24-16-8-3-9-17-24)31-26-19-11-10-18-25(26)27-29-20-21-30-27/h1-19,27H,20-21H2
InChIKeyMUJNJCLPCPCZGS-UHFFFAOYSA-N
MW408.50 g/mol
LogP6.10
Rot. Bonds6

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

2-(2-trityloxyphenyl)-1,3-dioxolane (PubChem CID 173251485) has the molecular formula C28H24O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-(2-trityloxyphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-trityloxyphenyl)-1,3-dioxolane
PubChem CID173251485
Molecular FormulaC28H24O3
Molecular Weight408.50 g/mol
Exact Mass408.17
IUPAC Name2-(2-trityloxyphenyl)-1,3-dioxolane
SMILESc1ccc(C(Oc2ccccc2C2OCCO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24O3/c1-4-12-22(13-5-1)28(23-14-6-2-7-15-23,24-16-8-3-9-17-24)31-26-19-11-10-18-25(26)27-29-20-21-30-27/h1-19,27H,20-21H2
InChIKeyMUJNJCLPCPCZGS-UHFFFAOYSA-N
XLogP6.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 56.10
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-(2-trityloxyphenyl)-1,3-dioxolane?
The IUPAC name of 2-(2-trityloxyphenyl)-1,3-dioxolane (CID 173251485) is 2-(2-trityloxyphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-trityloxyphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-trityloxyphenyl)-1,3-dioxolane is c1ccc(C(Oc2ccccc2C2OCCO2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(2-trityloxyphenyl)-1,3-dioxolane?
The InChIKey is MUJNJCLPCPCZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O3/c1-4-12-22(13-5-1)28(23-14-6-2-7-15-23,24-16-8-3-9-17-24)31-26-19-11-10-18-25(26)27-29-20-21-30-27/h1-19,27H,20-21H2.
What are the key properties of 2-(2-trityloxyphenyl)-1,3-dioxolane?
2-(2-trityloxyphenyl)-1,3-dioxolane has a molecular weight of 408.50 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-trityloxyphenyl)-1,3-dioxolane is sourced from PubChem (CID 173251485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).