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

C17H18O2 — CID 144692145

IUPAC2-(4-methylphenyl)-5-phenyl-1,3-dioxane
SMILESCc1ccc(C2OCC(c3ccccc3)CO2)cc1
InChIInChI=1S/C17H18O2/c1-13-7-9-15(10-8-13)17-18-11-16(12-19-17)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3
InChIKeyXHVSVYDJHJIHOP-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.82
Rot. Bonds2

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

2-(4-methylphenyl)-5-phenyl-1,3-dioxane (PubChem CID 144692145) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-phenyl-1,3-dioxane.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-phenyl-1,3-dioxane
PubChem CID144692145
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-(4-methylphenyl)-5-phenyl-1,3-dioxane
SMILESCc1ccc(C2OCC(c3ccccc3)CO2)cc1
InChIInChI=1S/C17H18O2/c1-13-7-9-15(10-8-13)17-18-11-16(12-19-17)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3
InChIKeyXHVSVYDJHJIHOP-UHFFFAOYSA-N
XLogP3.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroperoxyphenyl)-5-phenyl-1,3-dioxane
CID 90892054
5-(4-butylphenyl)-2-phenyl-1,3-dioxane
CID 141451860
[4-(5-phenyl-1,3-dioxan-2-yl)phenyl] methanesulfinate
CID 90785635
4-phenyl-3,5-dioxa-8-thiabicyclo[5.1.0]octane
CID 162369787
(3aS,6R,8aS)-6-(4-methylphenyl)-3-phenyl-3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole
CID 101136986
2-(4-methylphenyl)-3-phenyloxirane
CID 602487
2,5-bis(4-methylphenyl)-1,3-dioxane;1,4-bis(4-octylphenyl)piperazine
CID 91472105
(4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one
CID 127256657
(4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one
CID 177461861
(2R,4S)-2-methyl-4-phenyloxolane
CID 101336772
1-cyclohexyl-4-methylbenzene;toluene
CID 143243711
CID 59269157
CID 59269157

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-phenyl-1,3-dioxane?
The IUPAC name of 2-(4-methylphenyl)-5-phenyl-1,3-dioxane (CID 144692145) is 2-(4-methylphenyl)-5-phenyl-1,3-dioxane.
What is the SMILES notation for 2-(4-methylphenyl)-5-phenyl-1,3-dioxane?
The canonical SMILES for 2-(4-methylphenyl)-5-phenyl-1,3-dioxane is Cc1ccc(C2OCC(c3ccccc3)CO2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-phenyl-1,3-dioxane?
The InChIKey is XHVSVYDJHJIHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-13-7-9-15(10-8-13)17-18-11-16(12-19-17)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3.
What are the key properties of 2-(4-methylphenyl)-5-phenyl-1,3-dioxane?
2-(4-methylphenyl)-5-phenyl-1,3-dioxane has a molecular weight of 254.33 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-phenyl-1,3-dioxane is sourced from PubChem (CID 144692145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).