4-(4-chlorophenyl)-2,2-dimethyl-1,3-dioxolane

C11H13ClO2 — CID 21347874

IUPAC4-(4-chlorophenyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OCC(c2ccc(Cl)cc2)O1
InChIInChI=1S/C11H13ClO2/c1-11(2)13-7-10(14-11)8-3-5-9(12)6-4-8/h3-6,10H,7H2,1-2H3
InChIKeyITGNCMFSDKUNAQ-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.16
Rot. Bonds1

About 4-(4-chlorophenyl)-2,2-dimethyl-1,3-dioxolane

4-(4-chlorophenyl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 21347874) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2,2-dimethyl-1,3-dioxolane
PubChem CID21347874
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name4-(4-chlorophenyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OCC(c2ccc(Cl)cc2)O1
InChIInChI=1S/C11H13ClO2/c1-11(2)13-7-10(14-11)8-3-5-9(12)6-4-8/h3-6,10H,7H2,1-2H3
InChIKeyITGNCMFSDKUNAQ-UHFFFAOYSA-N
XLogP3.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-(4-chlorophenyl)-2,2-dimethyl-1,3-dioxolane (CID 21347874) is 4-(4-chlorophenyl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-(4-chlorophenyl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-(4-chlorophenyl)-2,2-dimethyl-1,3-dioxolane is CC1(C)OCC(c2ccc(Cl)cc2)O1.
What is the InChIKey of 4-(4-chlorophenyl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is ITGNCMFSDKUNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-11(2)13-7-10(14-11)8-3-5-9(12)6-4-8/h3-6,10H,7H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-2,2-dimethyl-1,3-dioxolane?
4-(4-chlorophenyl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 212.68 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 21347874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).