4-ethynyl-2-phenyl-1,3-dioxolane

C11H10O2 — CID 85419917

IUPAC4-ethynyl-2-phenyl-1,3-dioxolane
SMILESC#CC1COC(c2ccccc2)O1
InChIInChI=1S/C11H10O2/c1-2-10-8-12-11(13-10)9-6-4-3-5-7-9/h1,3-7,10-11H,8H2
InChIKeyKICXGGIOPOWKSU-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.73
Rot. Bonds1

About 4-ethynyl-2-phenyl-1,3-dioxolane

4-ethynyl-2-phenyl-1,3-dioxolane (PubChem CID 85419917) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-ethynyl-2-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name4-ethynyl-2-phenyl-1,3-dioxolane
PubChem CID85419917
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name4-ethynyl-2-phenyl-1,3-dioxolane
SMILESC#CC1COC(c2ccccc2)O1
InChIInChI=1S/C11H10O2/c1-2-10-8-12-11(13-10)9-6-4-3-5-7-9/h1,3-7,10-11H,8H2
InChIKeyKICXGGIOPOWKSU-UHFFFAOYSA-N
XLogP1.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-1,3-dioxolan-4-ol
CID 23288237
(4S,5R)-4-[(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 90322628
(4S,5R)-4-[(4R,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 102461331
(4S,5S)-4-[(4S,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 176837277
(1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane
CID 15481441
(5R)-4-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 22309099
(1R,2R,4S,7S,9S,12R)-4,12-diphenyl-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecane
CID 14202267
(1R,2R,4R,7S,10R)-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 126969884
4-tert-butyl-2-phenyl-1,3-dioxolane
CID 13289090
(1R,10R)-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 144720661
[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 10726056
(2S,4S)-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 58060694

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-2-phenyl-1,3-dioxolane?
The IUPAC name of 4-ethynyl-2-phenyl-1,3-dioxolane (CID 85419917) is 4-ethynyl-2-phenyl-1,3-dioxolane.
What is the SMILES notation for 4-ethynyl-2-phenyl-1,3-dioxolane?
The canonical SMILES for 4-ethynyl-2-phenyl-1,3-dioxolane is C#CC1COC(c2ccccc2)O1.
What is the InChIKey of 4-ethynyl-2-phenyl-1,3-dioxolane?
The InChIKey is KICXGGIOPOWKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-2-10-8-12-11(13-10)9-6-4-3-5-7-9/h1,3-7,10-11H,8H2.
What are the key properties of 4-ethynyl-2-phenyl-1,3-dioxolane?
4-ethynyl-2-phenyl-1,3-dioxolane has a molecular weight of 174.20 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-2-phenyl-1,3-dioxolane is sourced from PubChem (CID 85419917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).