2-(4-bromophenyl)-2-phenyl-1,3-dioxolane

C15H13BrO2 — CID 3847523

IUPAC2-(4-bromophenyl)-2-phenyl-1,3-dioxolane
SMILESBrc1ccc(C2(c3ccccc3)OCCO2)cc1
InChIInChI=1S/C15H13BrO2/c16-14-8-6-13(7-9-14)15(17-10-11-18-15)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyFMZJGCRMDNGDGO-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.70
Rot. Bonds2

About 2-(4-bromophenyl)-2-phenyl-1,3-dioxolane

2-(4-bromophenyl)-2-phenyl-1,3-dioxolane (PubChem CID 3847523) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-phenyl-1,3-dioxolane
PubChem CID3847523
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name2-(4-bromophenyl)-2-phenyl-1,3-dioxolane
SMILESBrc1ccc(C2(c3ccccc3)OCCO2)cc1
InChIInChI=1S/C15H13BrO2/c16-14-8-6-13(7-9-14)15(17-10-11-18-15)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyFMZJGCRMDNGDGO-UHFFFAOYSA-N
XLogP3.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-phenyl-1,3-dioxolane?
The IUPAC name of 2-(4-bromophenyl)-2-phenyl-1,3-dioxolane (CID 3847523) is 2-(4-bromophenyl)-2-phenyl-1,3-dioxolane.
What is the SMILES notation for 2-(4-bromophenyl)-2-phenyl-1,3-dioxolane?
The canonical SMILES for 2-(4-bromophenyl)-2-phenyl-1,3-dioxolane is Brc1ccc(C2(c3ccccc3)OCCO2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-phenyl-1,3-dioxolane?
The InChIKey is FMZJGCRMDNGDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c16-14-8-6-13(7-9-14)15(17-10-11-18-15)12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of 2-(4-bromophenyl)-2-phenyl-1,3-dioxolane?
2-(4-bromophenyl)-2-phenyl-1,3-dioxolane has a molecular weight of 305.17 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-phenyl-1,3-dioxolane is sourced from PubChem (CID 3847523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).