4-(4-chlorophenyl)-1,3-dioxane

C10H11ClO2 — CID 10888898

IUPAC4-(4-chlorophenyl)-1,3-dioxane
SMILESClc1ccc(C2CCOCO2)cc1
InChIInChI=1S/C10H11ClO2/c11-9-3-1-8(2-4-9)10-5-6-12-7-13-10/h1-4,10H,5-7H2
InChIKeyAQEBSMBBHRCHJM-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.78
Rot. Bonds1

About 4-(4-chlorophenyl)-1,3-dioxane

4-(4-chlorophenyl)-1,3-dioxane (PubChem CID 10888898) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1,3-dioxane.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1,3-dioxane
PubChem CID10888898
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name4-(4-chlorophenyl)-1,3-dioxane
SMILESClc1ccc(C2CCOCO2)cc1
InChIInChI=1S/C10H11ClO2/c11-9-3-1-8(2-4-9)10-5-6-12-7-13-10/h1-4,10H,5-7H2
InChIKeyAQEBSMBBHRCHJM-UHFFFAOYSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1,3-dioxane?
The IUPAC name of 4-(4-chlorophenyl)-1,3-dioxane (CID 10888898) is 4-(4-chlorophenyl)-1,3-dioxane.
What is the SMILES notation for 4-(4-chlorophenyl)-1,3-dioxane?
The canonical SMILES for 4-(4-chlorophenyl)-1,3-dioxane is Clc1ccc(C2CCOCO2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1,3-dioxane?
The InChIKey is AQEBSMBBHRCHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c11-9-3-1-8(2-4-9)10-5-6-12-7-13-10/h1-4,10H,5-7H2.
What are the key properties of 4-(4-chlorophenyl)-1,3-dioxane?
4-(4-chlorophenyl)-1,3-dioxane has a molecular weight of 198.65 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1,3-dioxane is sourced from PubChem (CID 10888898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).