4-methyl-2-[1-(2-methylphenyl)ethyl]-1,3-dioxolane

C13H18O2 — CID 11970878

IUPAC4-methyl-2-[1-(2-methylphenyl)ethyl]-1,3-dioxolane
SMILESCc1ccccc1C(C)C1OCC(C)O1
InChIInChI=1S/C13H18O2/c1-9-6-4-5-7-12(9)11(3)13-14-8-10(2)15-13/h4-7,10-11,13H,8H2,1-3H3
InChIKeyOWXKXAJVEXCJMQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.86
Rot. Bonds2

About 4-methyl-2-[1-(2-methylphenyl)ethyl]-1,3-dioxolane

4-methyl-2-[1-(2-methylphenyl)ethyl]-1,3-dioxolane (PubChem CID 11970878) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-methyl-2-[1-(2-methylphenyl)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name4-methyl-2-[1-(2-methylphenyl)ethyl]-1,3-dioxolane
PubChem CID11970878
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name4-methyl-2-[1-(2-methylphenyl)ethyl]-1,3-dioxolane
SMILESCc1ccccc1C(C)C1OCC(C)O1
InChIInChI=1S/C13H18O2/c1-9-6-4-5-7-12(9)11(3)13-14-8-10(2)15-13/h4-7,10-11,13H,8H2,1-3H3
InChIKeyOWXKXAJVEXCJMQ-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(2-methylphenyl)ethyl]-1,3-dioxolane?
The IUPAC name of 4-methyl-2-[1-(2-methylphenyl)ethyl]-1,3-dioxolane (CID 11970878) is 4-methyl-2-[1-(2-methylphenyl)ethyl]-1,3-dioxolane.
What is the SMILES notation for 4-methyl-2-[1-(2-methylphenyl)ethyl]-1,3-dioxolane?
The canonical SMILES for 4-methyl-2-[1-(2-methylphenyl)ethyl]-1,3-dioxolane is Cc1ccccc1C(C)C1OCC(C)O1.
What is the InChIKey of 4-methyl-2-[1-(2-methylphenyl)ethyl]-1,3-dioxolane?
The InChIKey is OWXKXAJVEXCJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-6-4-5-7-12(9)11(3)13-14-8-10(2)15-13/h4-7,10-11,13H,8H2,1-3H3.
What are the key properties of 4-methyl-2-[1-(2-methylphenyl)ethyl]-1,3-dioxolane?
4-methyl-2-[1-(2-methylphenyl)ethyl]-1,3-dioxolane has a molecular weight of 206.29 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(2-methylphenyl)ethyl]-1,3-dioxolane is sourced from PubChem (CID 11970878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).