(3-bromofuran-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone

C12H15BrO3 — CID 114973366

IUPAC(3-bromofuran-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)c2occc2Br)C1C
InChIInChI=1S/C12H15BrO3/c1-6-7(2)16-8(3)10(6)11(14)12-9(13)4-5-15-12/h4-8,10H,1-3H3
InChIKeyCRSIIBUZIXVMEI-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.28
Rot. Bonds2

About (3-bromofuran-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone

(3-bromofuran-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone (PubChem CID 114973366) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
PubChem CID114973366
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name(3-bromofuran-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)c2occc2Br)C1C
InChIInChI=1S/C12H15BrO3/c1-6-7(2)16-8(3)10(6)11(14)12-9(13)4-5-15-12/h4-8,10H,1-3H3
InChIKeyCRSIIBUZIXVMEI-UHFFFAOYSA-N
XLogP3.28
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The IUPAC name of (3-bromofuran-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone (CID 114973366) is (3-bromofuran-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The canonical SMILES for (3-bromofuran-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone is CC1OC(C)C(C(=O)c2occc2Br)C1C.
What is the InChIKey of (3-bromofuran-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The InChIKey is CRSIIBUZIXVMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-6-7(2)16-8(3)10(6)11(14)12-9(13)4-5-15-12/h4-8,10H,1-3H3.
What are the key properties of (3-bromofuran-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone?
(3-bromofuran-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone has a molecular weight of 287.15 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone is sourced from PubChem (CID 114973366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).