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

C16H24O3 — CID 83958921

IUPAC2-(4-ethoxy-2,3-dimethylphenyl)-2-propyl-1,3-dioxolane
SMILESCCCC1(c2ccc(OCC)c(C)c2C)OCCO1
InChIInChI=1S/C16H24O3/c1-5-9-16(18-10-11-19-16)14-7-8-15(17-6-2)13(4)12(14)3/h7-8H,5-6,9-11H2,1-4H3
InChIKeyXOENCWBGWNEEIR-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.70
Rot. Bonds5

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

2-(4-ethoxy-2,3-dimethylphenyl)-2-propyl-1,3-dioxolane (PubChem CID 83958921) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-(4-ethoxy-2,3-dimethylphenyl)-2-propyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-ethoxy-2,3-dimethylphenyl)-2-propyl-1,3-dioxolane
PubChem CID83958921
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name2-(4-ethoxy-2,3-dimethylphenyl)-2-propyl-1,3-dioxolane
SMILESCCCC1(c2ccc(OCC)c(C)c2C)OCCO1
InChIInChI=1S/C16H24O3/c1-5-9-16(18-10-11-19-16)14-7-8-15(17-6-2)13(4)12(14)3/h7-8H,5-6,9-11H2,1-4H3
InChIKeyXOENCWBGWNEEIR-UHFFFAOYSA-N
XLogP3.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-1,3-dioxolane
CID 83958916
2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane
CID 83957658
2-(5-bromo-2-propoxyphenyl)-2-propyl-1,3-dioxolane
CID 83958152
2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane
CID 83959412
2-(5-tert-butyl-2-ethoxyphenyl)-2-ethyl-1,3-dioxolane
CID 83958354
2-(2-bromo-4,5-dimethoxyphenyl)-2-propyl-1,3-dioxolane
CID 83959407
2-(5-tert-butyl-2-methylphenyl)-2-propyl-1,3-dioxolane
CID 83958342
2-(2,5-difluorophenyl)-2-propyl-1,3-dioxolane
CID 83958425
2-(2,5-dichlorophenyl)-2-propyl-1,3-dioxolane
CID 83957869
2-(2-ethoxy-5-fluorophenyl)-2-methyl-1,3-dioxolane
CID 83959424
2-(5-tert-butyl-2-ethylphenyl)-2-propyl-1,3-dioxolane
CID 83957578
4-ethoxy-2,3-dimethylbenzenesulfonamide
CID 43164397

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2,3-dimethylphenyl)-2-propyl-1,3-dioxolane?
The IUPAC name of 2-(4-ethoxy-2,3-dimethylphenyl)-2-propyl-1,3-dioxolane (CID 83958921) is 2-(4-ethoxy-2,3-dimethylphenyl)-2-propyl-1,3-dioxolane.
What is the SMILES notation for 2-(4-ethoxy-2,3-dimethylphenyl)-2-propyl-1,3-dioxolane?
The canonical SMILES for 2-(4-ethoxy-2,3-dimethylphenyl)-2-propyl-1,3-dioxolane is CCCC1(c2ccc(OCC)c(C)c2C)OCCO1.
What is the InChIKey of 2-(4-ethoxy-2,3-dimethylphenyl)-2-propyl-1,3-dioxolane?
The InChIKey is XOENCWBGWNEEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-5-9-16(18-10-11-19-16)14-7-8-15(17-6-2)13(4)12(14)3/h7-8H,5-6,9-11H2,1-4H3.
What are the key properties of 2-(4-ethoxy-2,3-dimethylphenyl)-2-propyl-1,3-dioxolane?
2-(4-ethoxy-2,3-dimethylphenyl)-2-propyl-1,3-dioxolane has a molecular weight of 264.36 g/mol, XLogP of 3.70, 5 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-propyl-1,3-dioxolane is sourced from PubChem (CID 83958921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).