2-phenyl-1,3-dioxonane

C13H18O2 — CID 70602118

IUPAC2-phenyl-1,3-dioxonane
SMILESc1ccc(C2OCCCCCCO2)cc1
InChIInChI=1S/C13H18O2/c1-2-7-11-15-13(14-10-6-1)12-8-4-3-5-9-12/h3-5,8-9,13H,1-2,6-7,10-11H2
InChIKeyUMLGANCDFPCCTR-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.29
Rot. Bonds1

About 2-phenyl-1,3-dioxonane

2-phenyl-1,3-dioxonane (PubChem CID 70602118) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-phenyl-1,3-dioxonane.

Molecular Properties

Compound Name2-phenyl-1,3-dioxonane
PubChem CID70602118
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name2-phenyl-1,3-dioxonane
SMILESc1ccc(C2OCCCCCCO2)cc1
InChIInChI=1S/C13H18O2/c1-2-7-11-15-13(14-10-6-1)12-8-4-3-5-9-12/h3-5,8-9,13H,1-2,6-7,10-11H2
InChIKeyUMLGANCDFPCCTR-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-dioxolane
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3-(1,3-dioxan-2-yl)aniline
CID 601607
2-(3-iodophenyl)-1,3-dioxane
CID 142902920
(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 102238187
2-(4-nitrophenyl)-1,3-dioxepane
CID 12562261
2-(4-diphenylphosphorylphenyl)-1,3-dioxolane
CID 169083681
(2R,3S)-2-phenyloxan-3-amine
CID 131044940
magnesium;2-phenyl-1,3-dioxane;chloride
CID 169224785
2-phenyl-5-[6-[(2-phenyl-1,3-dioxan-5-yl)oxy]hexoxy]-1,3-dioxane
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1-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenylprop-2-en-1-one
CID 143124468

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3-dioxonane?
The IUPAC name of 2-phenyl-1,3-dioxonane (CID 70602118) is 2-phenyl-1,3-dioxonane.
What is the SMILES notation for 2-phenyl-1,3-dioxonane?
The canonical SMILES for 2-phenyl-1,3-dioxonane is c1ccc(C2OCCCCCCO2)cc1.
What is the InChIKey of 2-phenyl-1,3-dioxonane?
The InChIKey is UMLGANCDFPCCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-7-11-15-13(14-10-6-1)12-8-4-3-5-9-12/h3-5,8-9,13H,1-2,6-7,10-11H2.
What are the key properties of 2-phenyl-1,3-dioxonane?
2-phenyl-1,3-dioxonane has a molecular weight of 206.29 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-dioxonane is sourced from PubChem (CID 70602118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).