2-(3-bromo-4-ethylphenyl)-2-methyl-1,3-dioxolane

C12H15BrO2 — CID 83949811

IUPAC2-(3-bromo-4-ethylphenyl)-2-methyl-1,3-dioxolane
SMILESCCc1ccc(C2(C)OCCO2)cc1Br
InChIInChI=1S/C12H15BrO2/c1-3-9-4-5-10(8-11(9)13)12(2)14-6-7-15-12/h4-5,8H,3,6-7H2,1-2H3
InChIKeyPPFSZSIPQXYLNU-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.23
Rot. Bonds2

About 2-(3-bromo-4-ethylphenyl)-2-methyl-1,3-dioxolane

2-(3-bromo-4-ethylphenyl)-2-methyl-1,3-dioxolane (PubChem CID 83949811) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 2-(3-bromo-4-ethylphenyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-bromo-4-ethylphenyl)-2-methyl-1,3-dioxolane
PubChem CID83949811
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name2-(3-bromo-4-ethylphenyl)-2-methyl-1,3-dioxolane
SMILESCCc1ccc(C2(C)OCCO2)cc1Br
InChIInChI=1S/C12H15BrO2/c1-3-9-4-5-10(8-11(9)13)12(2)14-6-7-15-12/h4-5,8H,3,6-7H2,1-2H3
InChIKeyPPFSZSIPQXYLNU-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-ethylphenyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(3-bromo-4-ethylphenyl)-2-methyl-1,3-dioxolane (CID 83949811) is 2-(3-bromo-4-ethylphenyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(3-bromo-4-ethylphenyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(3-bromo-4-ethylphenyl)-2-methyl-1,3-dioxolane is CCc1ccc(C2(C)OCCO2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-ethylphenyl)-2-methyl-1,3-dioxolane?
The InChIKey is PPFSZSIPQXYLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-3-9-4-5-10(8-11(9)13)12(2)14-6-7-15-12/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 2-(3-bromo-4-ethylphenyl)-2-methyl-1,3-dioxolane?
2-(3-bromo-4-ethylphenyl)-2-methyl-1,3-dioxolane has a molecular weight of 271.15 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-ethylphenyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 83949811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).