5-(4-butylphenyl)-2-phenyl-1,3-dioxane

C20H24O2 — CID 141451860

IUPAC5-(4-butylphenyl)-2-phenyl-1,3-dioxane
SMILESCCCCc1ccc(C2COC(c3ccccc3)OC2)cc1
InChIInChI=1S/C20H24O2/c1-2-3-7-16-10-12-17(13-11-16)19-14-21-20(22-15-19)18-8-5-4-6-9-18/h4-6,8-13,19-20H,2-3,7,14-15H2,1H3
InChIKeyGEOKTFPGNCSVMQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.86
Rot. Bonds5

About 5-(4-butylphenyl)-2-phenyl-1,3-dioxane

5-(4-butylphenyl)-2-phenyl-1,3-dioxane (PubChem CID 141451860) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 5-(4-butylphenyl)-2-phenyl-1,3-dioxane.

Molecular Properties

Compound Name5-(4-butylphenyl)-2-phenyl-1,3-dioxane
PubChem CID141451860
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name5-(4-butylphenyl)-2-phenyl-1,3-dioxane
SMILESCCCCc1ccc(C2COC(c3ccccc3)OC2)cc1
InChIInChI=1S/C20H24O2/c1-2-3-7-16-10-12-17(13-11-16)19-14-21-20(22-15-19)18-8-5-4-6-9-18/h4-6,8-13,19-20H,2-3,7,14-15H2,1H3
InChIKeyGEOKTFPGNCSVMQ-UHFFFAOYSA-N
XLogP4.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-pent-4-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane
CID 139780584
2-(4-isothiocyanatophenyl)-5-(4-pentylphenyl)-1,3-dioxane
CID 14149958
2-(4-hex-5-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane
CID 139780813
2-(4-methylphenyl)-5-phenyl-1,3-dioxane
CID 144692145
2,5-bis(4-methylphenyl)-1,3-dioxane;1,4-bis(4-octylphenyl)piperazine
CID 91472105
5-(4-butyl-2-cyclohexylphenyl)-2-(4-butylphenyl)-1,3-dioxane
CID 70410239
3,6-bis(4-butylphenyl)-1,2,4,5-tetraoxane
CID 44573810
2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane
CID 70410242
3,9-bis(4-octadecylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
CID 139895760
3-(4-butylphenyl)-5-phenyloxolan-2-one
CID 67810185
(4-octylphenyl)-phenyliodanium
CID 16696664
2-(4-hydroperoxyphenyl)-5-phenyl-1,3-dioxane
CID 90892054

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylphenyl)-2-phenyl-1,3-dioxane?
The IUPAC name of 5-(4-butylphenyl)-2-phenyl-1,3-dioxane (CID 141451860) is 5-(4-butylphenyl)-2-phenyl-1,3-dioxane.
What is the SMILES notation for 5-(4-butylphenyl)-2-phenyl-1,3-dioxane?
The canonical SMILES for 5-(4-butylphenyl)-2-phenyl-1,3-dioxane is CCCCc1ccc(C2COC(c3ccccc3)OC2)cc1.
What is the InChIKey of 5-(4-butylphenyl)-2-phenyl-1,3-dioxane?
The InChIKey is GEOKTFPGNCSVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-2-3-7-16-10-12-17(13-11-16)19-14-21-20(22-15-19)18-8-5-4-6-9-18/h4-6,8-13,19-20H,2-3,7,14-15H2,1H3.
What are the key properties of 5-(4-butylphenyl)-2-phenyl-1,3-dioxane?
5-(4-butylphenyl)-2-phenyl-1,3-dioxane has a molecular weight of 296.41 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylphenyl)-2-phenyl-1,3-dioxane is sourced from PubChem (CID 141451860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).