5-(4-bromophenyl)-5-(hydroxymethyl)-1,3-dioxolan-4-one

C10H9BrO4 — CID 10826101

IUPAC5-(4-bromophenyl)-5-(hydroxymethyl)-1,3-dioxolan-4-one
SMILESO=C1OCOC1(CO)c1ccc(Br)cc1
InChIInChI=1S/C10H9BrO4/c11-8-3-1-7(2-4-8)10(5-12)9(13)14-6-15-10/h1-4,12H,5-6H2
InChIKeyOQGGHLCECNFYIH-UHFFFAOYSA-N
MW273.08 g/mol
LogP1.17
Rot. Bonds2

About 5-(4-bromophenyl)-5-(hydroxymethyl)-1,3-dioxolan-4-one

5-(4-bromophenyl)-5-(hydroxymethyl)-1,3-dioxolan-4-one (PubChem CID 10826101) has the molecular formula C10H9BrO4 and a molecular weight of 273.08 g/mol. Its IUPAC name is 5-(4-bromophenyl)-5-(hydroxymethyl)-1,3-dioxolan-4-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-5-(hydroxymethyl)-1,3-dioxolan-4-one
PubChem CID10826101
Molecular FormulaC10H9BrO4
Molecular Weight273.08 g/mol
Exact Mass271.97
IUPAC Name5-(4-bromophenyl)-5-(hydroxymethyl)-1,3-dioxolan-4-one
SMILESO=C1OCOC1(CO)c1ccc(Br)cc1
InChIInChI=1S/C10H9BrO4/c11-8-3-1-7(2-4-8)10(5-12)9(13)14-6-15-10/h1-4,12H,5-6H2
InChIKeyOQGGHLCECNFYIH-UHFFFAOYSA-N
XLogP1.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-5-(hydroxymethyl)-1,3-dioxolan-4-one?
The IUPAC name of 5-(4-bromophenyl)-5-(hydroxymethyl)-1,3-dioxolan-4-one (CID 10826101) is 5-(4-bromophenyl)-5-(hydroxymethyl)-1,3-dioxolan-4-one.
What is the SMILES notation for 5-(4-bromophenyl)-5-(hydroxymethyl)-1,3-dioxolan-4-one?
The canonical SMILES for 5-(4-bromophenyl)-5-(hydroxymethyl)-1,3-dioxolan-4-one is O=C1OCOC1(CO)c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-5-(hydroxymethyl)-1,3-dioxolan-4-one?
The InChIKey is OQGGHLCECNFYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO4/c11-8-3-1-7(2-4-8)10(5-12)9(13)14-6-15-10/h1-4,12H,5-6H2.
What are the key properties of 5-(4-bromophenyl)-5-(hydroxymethyl)-1,3-dioxolan-4-one?
5-(4-bromophenyl)-5-(hydroxymethyl)-1,3-dioxolan-4-one has a molecular weight of 273.08 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-5-(hydroxymethyl)-1,3-dioxolan-4-one is sourced from PubChem (CID 10826101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).