2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane

C13H18O3 — CID 83957658

IUPAC2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane
SMILESCCCC1(c2ccccc2OC)OCCO1
InChIInChI=1S/C13H18O3/c1-3-8-13(15-9-10-16-13)11-6-4-5-7-12(11)14-2/h4-7H,3,8-10H2,1-2H3
InChIKeyUKXBLKPIVZIDNF-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.69
Rot. Bonds4

About 2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane

2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane (PubChem CID 83957658) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane
PubChem CID83957658
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane
SMILESCCCC1(c2ccccc2OC)OCCO1
InChIInChI=1S/C13H18O3/c1-3-8-13(15-9-10-16-13)11-6-4-5-7-12(11)14-2/h4-7H,3,8-10H2,1-2H3
InChIKeyUKXBLKPIVZIDNF-UHFFFAOYSA-N
XLogP2.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane?
The IUPAC name of 2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane (CID 83957658) is 2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane.
What is the SMILES notation for 2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane?
The canonical SMILES for 2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane is CCCC1(c2ccccc2OC)OCCO1.
What is the InChIKey of 2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane?
The InChIKey is UKXBLKPIVZIDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-3-8-13(15-9-10-16-13)11-6-4-5-7-12(11)14-2/h4-7H,3,8-10H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane?
2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane has a molecular weight of 222.28 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane is sourced from PubChem (CID 83957658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).