4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane

C13H18O3 — CID 70936320

IUPAC4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane
SMILESCC(C)Oc1ccc(C2OCC(C)O2)cc1
InChIInChI=1S/C13H18O3/c1-9(2)15-12-6-4-11(5-7-12)13-14-8-10(3)16-13/h4-7,9-10,13H,8H2,1-3H3
InChIKeyHKTIWKVSJFWPBH-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.91
Rot. Bonds3

About 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane

4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane (PubChem CID 70936320) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane
PubChem CID70936320
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane
SMILESCC(C)Oc1ccc(C2OCC(C)O2)cc1
InChIInChI=1S/C13H18O3/c1-9(2)15-12-6-4-11(5-7-12)13-14-8-10(3)16-13/h4-7,9-10,13H,8H2,1-3H3
InChIKeyHKTIWKVSJFWPBH-UHFFFAOYSA-N
XLogP2.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane?
The IUPAC name of 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane (CID 70936320) is 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane.
What is the SMILES notation for 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane?
The canonical SMILES for 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane is CC(C)Oc1ccc(C2OCC(C)O2)cc1.
What is the InChIKey of 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane?
The InChIKey is HKTIWKVSJFWPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9(2)15-12-6-4-11(5-7-12)13-14-8-10(3)16-13/h4-7,9-10,13H,8H2,1-3H3.
What are the key properties of 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane?
4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane has a molecular weight of 222.28 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane is sourced from PubChem (CID 70936320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).