(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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Related Compounds

7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methanone
CID 114973383
2-azabicyclo[2.1.1]hexan-5-yl-(3-bromofuran-2-yl)methanone
CID 131003152
(3-bromofuran-2-yl)-(2,2-dimethylcyclopropyl)methanone
CID 107003890
(4-bromo-2,5-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65154787
1,2-thiazol-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone
CID 130673495
3-bromofuran-2-carbonyl bromide
CID 88622824
(3-bromofuran-2-yl)-(3,3-difluorocyclobutyl)methanone
CID 130992583
(3-bromofuran-2-yl)-morpholin-2-ylmethanone
CID 116561685
2-(3-bromofuran-2-yl)-2-oxoacetic acid
CID 130951949
3-bromo-N-(2-methylcyclopropyl)furan-2-carboxamide
CID 130693285
1-(3-bromofuran-2-yl)butan-1-one
CID 63941447
(3-bromofuran-2-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 116559716

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).