2-(3-bromo-5-methoxyphenyl)-1,3-dioxolane

C10H11BrO3 — CID 138376231

IUPAC2-(3-bromo-5-methoxyphenyl)-1,3-dioxolane
SMILESCOc1cc(Br)cc(C2OCCO2)c1
InChIInChI=1S/C10H11BrO3/c1-12-9-5-7(4-8(11)6-9)10-13-2-3-14-10/h4-6,10H,2-3H2,1H3
InChIKeyAALFXIABYPDZOW-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.50
Rot. Bonds2

About 2-(3-bromo-5-methoxyphenyl)-1,3-dioxolane

2-(3-bromo-5-methoxyphenyl)-1,3-dioxolane (PubChem CID 138376231) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-(3-bromo-5-methoxyphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-bromo-5-methoxyphenyl)-1,3-dioxolane
PubChem CID138376231
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name2-(3-bromo-5-methoxyphenyl)-1,3-dioxolane
SMILESCOc1cc(Br)cc(C2OCCO2)c1
InChIInChI=1S/C10H11BrO3/c1-12-9-5-7(4-8(11)6-9)10-13-2-3-14-10/h4-6,10H,2-3H2,1H3
InChIKeyAALFXIABYPDZOW-UHFFFAOYSA-N
XLogP2.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methoxyphenyl)-1,3-dioxolane?
The IUPAC name of 2-(3-bromo-5-methoxyphenyl)-1,3-dioxolane (CID 138376231) is 2-(3-bromo-5-methoxyphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(3-bromo-5-methoxyphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(3-bromo-5-methoxyphenyl)-1,3-dioxolane is COc1cc(Br)cc(C2OCCO2)c1.
What is the InChIKey of 2-(3-bromo-5-methoxyphenyl)-1,3-dioxolane?
The InChIKey is AALFXIABYPDZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-12-9-5-7(4-8(11)6-9)10-13-2-3-14-10/h4-6,10H,2-3H2,1H3.
What are the key properties of 2-(3-bromo-5-methoxyphenyl)-1,3-dioxolane?
2-(3-bromo-5-methoxyphenyl)-1,3-dioxolane has a molecular weight of 259.10 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-methoxyphenyl)-1,3-dioxolane is sourced from PubChem (CID 138376231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).