2-(2,4-dichlorophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane

C18H18Cl2O2 — CID 4144347

IUPAC2-(2,4-dichlorophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane
SMILESCC1(C)COC(c2ccccc2)(c2ccc(Cl)cc2Cl)OC1
InChIInChI=1S/C18H18Cl2O2/c1-17(2)11-21-18(22-12-17,13-6-4-3-5-7-13)15-9-8-14(19)10-16(15)20/h3-10H,11-12H2,1-2H3
InChIKeyVPIILBDVRYJERZ-UHFFFAOYSA-N
MW337.25 g/mol
LogP5.27
Rot. Bonds2

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

2-(2,4-dichlorophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane (PubChem CID 4144347) has the molecular formula C18H18Cl2O2 and a molecular weight of 337.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane
PubChem CID4144347
Molecular FormulaC18H18Cl2O2
Molecular Weight337.25 g/mol
Exact Mass336.07
IUPAC Name2-(2,4-dichlorophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane
SMILESCC1(C)COC(c2ccccc2)(c2ccc(Cl)cc2Cl)OC1
InChIInChI=1S/C18H18Cl2O2/c1-17(2)11-21-18(22-12-17,13-6-4-3-5-7-13)15-9-8-14(19)10-16(15)20/h3-10H,11-12H2,1-2H3
InChIKeyVPIILBDVRYJERZ-UHFFFAOYSA-N
XLogP5.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.25
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane?
The IUPAC name of 2-(2,4-dichlorophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane (CID 4144347) is 2-(2,4-dichlorophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane is CC1(C)COC(c2ccccc2)(c2ccc(Cl)cc2Cl)OC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane?
The InChIKey is VPIILBDVRYJERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2O2/c1-17(2)11-21-18(22-12-17,13-6-4-3-5-7-13)15-9-8-14(19)10-16(15)20/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane?
2-(2,4-dichlorophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane has a molecular weight of 337.25 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane is sourced from PubChem (CID 4144347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).