2-(2-ethyl-4-methylphenyl)-1,3-dioxolane

C12H16O2 — CID 123214481

IUPAC2-(2-ethyl-4-methylphenyl)-1,3-dioxolane
SMILESCCc1cc(C)ccc1C1OCCO1
InChIInChI=1S/C12H16O2/c1-3-10-8-9(2)4-5-11(10)12-13-6-7-14-12/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyHYPOTDCYUVBOGW-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.60
Rot. Bonds2

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

2-(2-ethyl-4-methylphenyl)-1,3-dioxolane (PubChem CID 123214481) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(2-ethyl-4-methylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-ethyl-4-methylphenyl)-1,3-dioxolane
PubChem CID123214481
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-(2-ethyl-4-methylphenyl)-1,3-dioxolane
SMILESCCc1cc(C)ccc1C1OCCO1
InChIInChI=1S/C12H16O2/c1-3-10-8-9(2)4-5-11(10)12-13-6-7-14-12/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyHYPOTDCYUVBOGW-UHFFFAOYSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-methylphenyl)-1,3-dioxolane?
The IUPAC name of 2-(2-ethyl-4-methylphenyl)-1,3-dioxolane (CID 123214481) is 2-(2-ethyl-4-methylphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-ethyl-4-methylphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-ethyl-4-methylphenyl)-1,3-dioxolane is CCc1cc(C)ccc1C1OCCO1.
What is the InChIKey of 2-(2-ethyl-4-methylphenyl)-1,3-dioxolane?
The InChIKey is HYPOTDCYUVBOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-10-8-9(2)4-5-11(10)12-13-6-7-14-12/h4-5,8,12H,3,6-7H2,1-2H3.
What are the key properties of 2-(2-ethyl-4-methylphenyl)-1,3-dioxolane?
2-(2-ethyl-4-methylphenyl)-1,3-dioxolane has a molecular weight of 192.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-methylphenyl)-1,3-dioxolane is sourced from PubChem (CID 123214481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).