2-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-1,3-dioxolane

C14H20O3 — CID 83958916

IUPAC2-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-1,3-dioxolane
SMILESCCOc1ccc(C2(C)OCCO2)c(C)c1C
InChIInChI=1S/C14H20O3/c1-5-15-13-7-6-12(10(2)11(13)3)14(4)16-8-9-17-14/h6-7H,5,8-9H2,1-4H3
InChIKeyOJSZUUQTJWKURL-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.92
Rot. Bonds3

About 2-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-1,3-dioxolane

2-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-1,3-dioxolane (PubChem CID 83958916) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-1,3-dioxolane
PubChem CID83958916
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-1,3-dioxolane
SMILESCCOc1ccc(C2(C)OCCO2)c(C)c1C
InChIInChI=1S/C14H20O3/c1-5-15-13-7-6-12(10(2)11(13)3)14(4)16-8-9-17-14/h6-7H,5,8-9H2,1-4H3
InChIKeyOJSZUUQTJWKURL-UHFFFAOYSA-N
XLogP2.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-1,3-dioxolane (CID 83958916) is 2-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-1,3-dioxolane is CCOc1ccc(C2(C)OCCO2)c(C)c1C.
What is the InChIKey of 2-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-1,3-dioxolane?
The InChIKey is OJSZUUQTJWKURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-15-13-7-6-12(10(2)11(13)3)14(4)16-8-9-17-14/h6-7H,5,8-9H2,1-4H3.
What are the key properties of 2-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-1,3-dioxolane?
2-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-1,3-dioxolane has a molecular weight of 236.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 83958916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).