4-(4-bromophenyl)-1,3-dioxolan-2-one

C9H7BrO3 — CID 66961495

IUPAC4-(4-bromophenyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(c2ccc(Br)cc2)O1
InChIInChI=1S/C9H7BrO3/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h1-4,8H,5H2
InChIKeyTUBJRHDBKOVBRZ-UHFFFAOYSA-N
MW243.06 g/mol
LogP2.66
Rot. Bonds1

About 4-(4-bromophenyl)-1,3-dioxolan-2-one

4-(4-bromophenyl)-1,3-dioxolan-2-one (PubChem CID 66961495) has the molecular formula C9H7BrO3 and a molecular weight of 243.06 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-1,3-dioxolan-2-one
PubChem CID66961495
Molecular FormulaC9H7BrO3
Molecular Weight243.06 g/mol
Exact Mass241.96
IUPAC Name4-(4-bromophenyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(c2ccc(Br)cc2)O1
InChIInChI=1S/C9H7BrO3/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h1-4,8H,5H2
InChIKeyTUBJRHDBKOVBRZ-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(4-bromophenyl)-1,3-dioxolan-2-one (CID 66961495) is 4-(4-bromophenyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(4-bromophenyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(4-bromophenyl)-1,3-dioxolan-2-one is O=C1OCC(c2ccc(Br)cc2)O1.
What is the InChIKey of 4-(4-bromophenyl)-1,3-dioxolan-2-one?
The InChIKey is TUBJRHDBKOVBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO3/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h1-4,8H,5H2.
What are the key properties of 4-(4-bromophenyl)-1,3-dioxolan-2-one?
4-(4-bromophenyl)-1,3-dioxolan-2-one has a molecular weight of 243.06 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 66961495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).