2-phenyl-5-prop-2-ynoxy-1,3-dioxane

C13H14O3 — CID 134275643

IUPAC2-phenyl-5-prop-2-ynoxy-1,3-dioxane
SMILESC#CCOC1COC(c2ccccc2)OC1
InChIInChI=1S/C13H14O3/c1-2-8-14-12-9-15-13(16-10-12)11-6-4-3-5-7-11/h1,3-7,12-13H,8-10H2
InChIKeyNVDLIAVGIJLVFY-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.75
Rot. Bonds3

About 2-phenyl-5-prop-2-ynoxy-1,3-dioxane

2-phenyl-5-prop-2-ynoxy-1,3-dioxane (PubChem CID 134275643) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-phenyl-5-prop-2-ynoxy-1,3-dioxane.

Molecular Properties

Compound Name2-phenyl-5-prop-2-ynoxy-1,3-dioxane
PubChem CID134275643
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name2-phenyl-5-prop-2-ynoxy-1,3-dioxane
SMILESC#CCOC1COC(c2ccccc2)OC1
InChIInChI=1S/C13H14O3/c1-2-8-14-12-9-15-13(16-10-12)11-6-4-3-5-7-11/h1,3-7,12-13H,8-10H2
InChIKeyNVDLIAVGIJLVFY-UHFFFAOYSA-N
XLogP1.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-5-[6-[(2-phenyl-1,3-dioxan-5-yl)oxy]hexoxy]-1,3-dioxane
CID 59848177
5-decoxy-2-phenyl-1,3-dioxane
CID 15077847
ethane;2-phenyl-5,5-bis(prop-2-ynoxymethyl)-1,3-dioxane
CID 142452502
CID 59269157
CID 59269157
4-ethynyl-2-phenyl-1,3-dioxolane
CID 85419917
[(6R,8aR)-7-hydroxy-2-phenyl-6-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate
CID 135017223
(4aR,6S,7R,8S,8aR)-6-ethylsulfanyl-2-phenyl-8-phenylmethoxy-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 102491441
4-phenyl-3,5-dioxa-8-thiabicyclo[5.1.0]octane
CID 162369787
(2R,4aR,6S,7S,8S,8aR)-6-[[(2R,4aR,6R,7S,8S,8aR)-6-methoxy-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-8-[[(2R,4aR,6S,7S,8S,8aR)-8-(naphthalen-2-ylmethoxy)-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 23627149
(2R,4aR,6S,7S,8S,8aR)-6-[[(2R,4aR,6S,7S,8S,8aR)-2-phenyl-8-phenylmethoxy-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-2-phenyl-8-phenylmethoxy-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 25232318
2-(4-hydroperoxyphenyl)-5-phenyl-1,3-dioxane
CID 90892054
2-phenyl-1,3-dioxane-5-carbonyl chloride
CID 18682418

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-prop-2-ynoxy-1,3-dioxane?
The IUPAC name of 2-phenyl-5-prop-2-ynoxy-1,3-dioxane (CID 134275643) is 2-phenyl-5-prop-2-ynoxy-1,3-dioxane.
What is the SMILES notation for 2-phenyl-5-prop-2-ynoxy-1,3-dioxane?
The canonical SMILES for 2-phenyl-5-prop-2-ynoxy-1,3-dioxane is C#CCOC1COC(c2ccccc2)OC1.
What is the InChIKey of 2-phenyl-5-prop-2-ynoxy-1,3-dioxane?
The InChIKey is NVDLIAVGIJLVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-2-8-14-12-9-15-13(16-10-12)11-6-4-3-5-7-11/h1,3-7,12-13H,8-10H2.
What are the key properties of 2-phenyl-5-prop-2-ynoxy-1,3-dioxane?
2-phenyl-5-prop-2-ynoxy-1,3-dioxane has a molecular weight of 218.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-prop-2-ynoxy-1,3-dioxane is sourced from PubChem (CID 134275643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).