4-bromo-3-(1,3-dioxolan-2-yl)phenol;ethane

C11H15BrO3 — CID 90901779

IUPAC4-bromo-3-(1,3-dioxolan-2-yl)phenol;ethane
SMILESCC.Oc1ccc(Br)c(C2OCCO2)c1
InChIInChI=1S/C9H9BrO3.C2H6/c10-8-2-1-6(11)5-7(8)9-12-3-4-13-9;1-2/h1-2,5,9,11H,3-4H2;1-2H3
InChIKeyUGPGJDXFRYGGJW-UHFFFAOYSA-N
MW275.14 g/mol
LogP3.23
Rot. Bonds1

About 4-bromo-3-(1,3-dioxolan-2-yl)phenol;ethane

4-bromo-3-(1,3-dioxolan-2-yl)phenol;ethane (PubChem CID 90901779) has the molecular formula C11H15BrO3 and a molecular weight of 275.14 g/mol. Its IUPAC name is 4-bromo-3-(1,3-dioxolan-2-yl)phenol;ethane.

Molecular Properties

Compound Name4-bromo-3-(1,3-dioxolan-2-yl)phenol;ethane
PubChem CID90901779
Molecular FormulaC11H15BrO3
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name4-bromo-3-(1,3-dioxolan-2-yl)phenol;ethane
SMILESCC.Oc1ccc(Br)c(C2OCCO2)c1
InChIInChI=1S/C9H9BrO3.C2H6/c10-8-2-1-6(11)5-7(8)9-12-3-4-13-9;1-2/h1-2,5,9,11H,3-4H2;1-2H3
InChIKeyUGPGJDXFRYGGJW-UHFFFAOYSA-N
XLogP3.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(1,3-dioxolan-2-yl)phenol;ethane?
The IUPAC name of 4-bromo-3-(1,3-dioxolan-2-yl)phenol;ethane (CID 90901779) is 4-bromo-3-(1,3-dioxolan-2-yl)phenol;ethane.
What is the SMILES notation for 4-bromo-3-(1,3-dioxolan-2-yl)phenol;ethane?
The canonical SMILES for 4-bromo-3-(1,3-dioxolan-2-yl)phenol;ethane is CC.Oc1ccc(Br)c(C2OCCO2)c1.
What is the InChIKey of 4-bromo-3-(1,3-dioxolan-2-yl)phenol;ethane?
The InChIKey is UGPGJDXFRYGGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO3.C2H6/c10-8-2-1-6(11)5-7(8)9-12-3-4-13-9;1-2/h1-2,5,9,11H,3-4H2;1-2H3.
What are the key properties of 4-bromo-3-(1,3-dioxolan-2-yl)phenol;ethane?
4-bromo-3-(1,3-dioxolan-2-yl)phenol;ethane has a molecular weight of 275.14 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(1,3-dioxolan-2-yl)phenol;ethane is sourced from PubChem (CID 90901779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).