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

C12H15BrO2 — CID 83957385

IUPAC2-(3-bromo-2-methylphenyl)-2-ethyl-1,3-dioxolane
SMILESCCC1(c2cccc(Br)c2C)OCCO1
InChIInChI=1S/C12H15BrO2/c1-3-12(14-7-8-15-12)10-5-4-6-11(13)9(10)2/h4-6H,3,7-8H2,1-2H3
InChIKeyKEUIPKKUDLYVBE-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.37
Rot. Bonds2

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

2-(3-bromo-2-methylphenyl)-2-ethyl-1,3-dioxolane (PubChem CID 83957385) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 2-(3-bromo-2-methylphenyl)-2-ethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-bromo-2-methylphenyl)-2-ethyl-1,3-dioxolane
PubChem CID83957385
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name2-(3-bromo-2-methylphenyl)-2-ethyl-1,3-dioxolane
SMILESCCC1(c2cccc(Br)c2C)OCCO1
InChIInChI=1S/C12H15BrO2/c1-3-12(14-7-8-15-12)10-5-4-6-11(13)9(10)2/h4-6H,3,7-8H2,1-2H3
InChIKeyKEUIPKKUDLYVBE-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylphenyl)-2-ethyl-1,3-dioxolane?
The IUPAC name of 2-(3-bromo-2-methylphenyl)-2-ethyl-1,3-dioxolane (CID 83957385) is 2-(3-bromo-2-methylphenyl)-2-ethyl-1,3-dioxolane.
What is the SMILES notation for 2-(3-bromo-2-methylphenyl)-2-ethyl-1,3-dioxolane?
The canonical SMILES for 2-(3-bromo-2-methylphenyl)-2-ethyl-1,3-dioxolane is CCC1(c2cccc(Br)c2C)OCCO1.
What is the InChIKey of 2-(3-bromo-2-methylphenyl)-2-ethyl-1,3-dioxolane?
The InChIKey is KEUIPKKUDLYVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-3-12(14-7-8-15-12)10-5-4-6-11(13)9(10)2/h4-6H,3,7-8H2,1-2H3.
What are the key properties of 2-(3-bromo-2-methylphenyl)-2-ethyl-1,3-dioxolane?
2-(3-bromo-2-methylphenyl)-2-ethyl-1,3-dioxolane has a molecular weight of 271.15 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylphenyl)-2-ethyl-1,3-dioxolane is sourced from PubChem (CID 83957385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).