4-bromo-2,2-diphenyl-1,3-dioxolane

C15H13BrO2 — CID 175223631

IUPAC4-bromo-2,2-diphenyl-1,3-dioxolane
SMILESBrC1COC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C15H13BrO2/c16-14-11-17-15(18-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyBOVUBWRHLHDXCY-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.66
Rot. Bonds2

About 4-bromo-2,2-diphenyl-1,3-dioxolane

4-bromo-2,2-diphenyl-1,3-dioxolane (PubChem CID 175223631) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 4-bromo-2,2-diphenyl-1,3-dioxolane.

Molecular Properties

Compound Name4-bromo-2,2-diphenyl-1,3-dioxolane
PubChem CID175223631
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name4-bromo-2,2-diphenyl-1,3-dioxolane
SMILESBrC1COC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C15H13BrO2/c16-14-11-17-15(18-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyBOVUBWRHLHDXCY-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2,2-diphenyl-1,3-dioxolane
CID 123665979
1-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine;hydrochloride
CID 157418968
[(1S)-1-(2,2-diphenyl-1,3-dioxolan-4-yl)ethyl]-trimethylazanium
CID 45266333
(4R)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane
CID 139148658
[(1S)-1-(2,2-diphenyl-1,3-dioxolan-4-yl)ethyl]-trimethylazanium iodide
CID 45266332
(2R)-2-[[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one
CID 25178106
(2R)-2-[[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one
CID 25180442
2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane
CID 12934420
2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-1-methyl-1-oxidopiperidin-1-ium
CID 145453284
(2R)-1-benzyl-2-[[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one
CID 25180441
3-benzyl-2,2-diphenyloxirane
CID 134205006
(1S,9R)-1-phenyl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 101035570

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,2-diphenyl-1,3-dioxolane?
The IUPAC name of 4-bromo-2,2-diphenyl-1,3-dioxolane (CID 175223631) is 4-bromo-2,2-diphenyl-1,3-dioxolane.
What is the SMILES notation for 4-bromo-2,2-diphenyl-1,3-dioxolane?
The canonical SMILES for 4-bromo-2,2-diphenyl-1,3-dioxolane is BrC1COC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 4-bromo-2,2-diphenyl-1,3-dioxolane?
The InChIKey is BOVUBWRHLHDXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c16-14-11-17-15(18-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2.
What are the key properties of 4-bromo-2,2-diphenyl-1,3-dioxolane?
4-bromo-2,2-diphenyl-1,3-dioxolane has a molecular weight of 305.17 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,2-diphenyl-1,3-dioxolane is sourced from PubChem (CID 175223631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).