(2-oxooxolan-3-yl) 2-(4-bromophenyl)acetate

C12H11BrO4 — CID 4313827

IUPAC(2-oxooxolan-3-yl) 2-(4-bromophenyl)acetate
SMILESO=C(Cc1ccc(Br)cc1)OC1CCOC1=O
InChIInChI=1S/C12H11BrO4/c13-9-3-1-8(2-4-9)7-11(14)17-10-5-6-16-12(10)15/h1-4,10H,5-7H2
InChIKeySUOBYRXUYPMQBW-UHFFFAOYSA-N
MW299.12 g/mol
LogP1.85
Rot. Bonds3

About (2-oxooxolan-3-yl) 2-(4-bromophenyl)acetate

(2-oxooxolan-3-yl) 2-(4-bromophenyl)acetate (PubChem CID 4313827) has the molecular formula C12H11BrO4 and a molecular weight of 299.12 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-(4-bromophenyl)acetate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-(4-bromophenyl)acetate
PubChem CID4313827
Molecular FormulaC12H11BrO4
Molecular Weight299.12 g/mol
Exact Mass297.98
IUPAC Name(2-oxooxolan-3-yl) 2-(4-bromophenyl)acetate
SMILESO=C(Cc1ccc(Br)cc1)OC1CCOC1=O
InChIInChI=1S/C12H11BrO4/c13-9-3-1-8(2-4-9)7-11(14)17-10-5-6-16-12(10)15/h1-4,10H,5-7H2
InChIKeySUOBYRXUYPMQBW-UHFFFAOYSA-N
XLogP1.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2-(4-bromophenyl)acetate?
The IUPAC name of (2-oxooxolan-3-yl) 2-(4-bromophenyl)acetate (CID 4313827) is (2-oxooxolan-3-yl) 2-(4-bromophenyl)acetate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-(4-bromophenyl)acetate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-(4-bromophenyl)acetate is O=C(Cc1ccc(Br)cc1)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) 2-(4-bromophenyl)acetate?
The InChIKey is SUOBYRXUYPMQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO4/c13-9-3-1-8(2-4-9)7-11(14)17-10-5-6-16-12(10)15/h1-4,10H,5-7H2.
What are the key properties of (2-oxooxolan-3-yl) 2-(4-bromophenyl)acetate?
(2-oxooxolan-3-yl) 2-(4-bromophenyl)acetate has a molecular weight of 299.12 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2-(4-bromophenyl)acetate is sourced from PubChem (CID 4313827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).