2-(2-methoxy-3-methylphenyl)-1,3-dioxolane

C11H14O3 — CID 122548411

IUPAC2-(2-methoxy-3-methylphenyl)-1,3-dioxolane
SMILESCOc1c(C)cccc1C1OCCO1
InChIInChI=1S/C11H14O3/c1-8-4-3-5-9(10(8)12-2)11-13-6-7-14-11/h3-5,11H,6-7H2,1-2H3
InChIKeyOVSPFYOIHXUXGZ-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.05
Rot. Bonds2

About 2-(2-methoxy-3-methylphenyl)-1,3-dioxolane

2-(2-methoxy-3-methylphenyl)-1,3-dioxolane (PubChem CID 122548411) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(2-methoxy-3-methylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-methoxy-3-methylphenyl)-1,3-dioxolane
PubChem CID122548411
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(2-methoxy-3-methylphenyl)-1,3-dioxolane
SMILESCOc1c(C)cccc1C1OCCO1
InChIInChI=1S/C11H14O3/c1-8-4-3-5-9(10(8)12-2)11-13-6-7-14-11/h3-5,11H,6-7H2,1-2H3
InChIKeyOVSPFYOIHXUXGZ-UHFFFAOYSA-N
XLogP2.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-methylphenyl)-1,3-dioxolane?
The IUPAC name of 2-(2-methoxy-3-methylphenyl)-1,3-dioxolane (CID 122548411) is 2-(2-methoxy-3-methylphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-methoxy-3-methylphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-methoxy-3-methylphenyl)-1,3-dioxolane is COc1c(C)cccc1C1OCCO1.
What is the InChIKey of 2-(2-methoxy-3-methylphenyl)-1,3-dioxolane?
The InChIKey is OVSPFYOIHXUXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-4-3-5-9(10(8)12-2)11-13-6-7-14-11/h3-5,11H,6-7H2,1-2H3.
What are the key properties of 2-(2-methoxy-3-methylphenyl)-1,3-dioxolane?
2-(2-methoxy-3-methylphenyl)-1,3-dioxolane has a molecular weight of 194.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-methylphenyl)-1,3-dioxolane is sourced from PubChem (CID 122548411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).