1-(5-bromofuran-2-yl)-2-(oxolan-3-yl)ethanone

C10H11BrO3 — CID 130900994

IUPAC1-(5-bromofuran-2-yl)-2-(oxolan-3-yl)ethanone
SMILESO=C(CC1CCOC1)c1ccc(Br)o1
InChIInChI=1S/C10H11BrO3/c11-10-2-1-9(14-10)8(12)5-7-3-4-13-6-7/h1-2,7H,3-6H2
InChIKeyWRSYMTMHQWIEQQ-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.65
Rot. Bonds3

About 1-(5-bromofuran-2-yl)-2-(oxolan-3-yl)ethanone

1-(5-bromofuran-2-yl)-2-(oxolan-3-yl)ethanone (PubChem CID 130900994) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2-(oxolan-3-yl)ethanone
PubChem CID130900994
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name1-(5-bromofuran-2-yl)-2-(oxolan-3-yl)ethanone
SMILESO=C(CC1CCOC1)c1ccc(Br)o1
InChIInChI=1S/C10H11BrO3/c11-10-2-1-9(14-10)8(12)5-7-3-4-13-6-7/h1-2,7H,3-6H2
InChIKeyWRSYMTMHQWIEQQ-UHFFFAOYSA-N
XLogP2.65
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-3-yl)-1-phenylethanone
CID 71757170
1-(5-bromofuran-2-yl)propan-1-one
CID 14547080
2-(azepan-2-yl)-1-(5-bromofuran-2-yl)ethanone
CID 104653573
tert-butyl 3-[2-(5-bromofuran-2-yl)-2-oxoethyl]morpholine-4-carboxylate
CID 104856606
5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide
CID 103548570
4-(oxolan-3-ylmethyl)benzaldehyde
CID 105444209
1-(2,3-dimethylphenyl)-2-(oxolan-3-yl)ethanone
CID 103986180
2-amino-1-(5-bromofuran-2-yl)ethanone;hydrochloride
CID 67834737
1-(5-bromofuran-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanone
CID 114977069
1-(3-methyltriazol-4-yl)-2-(oxolan-3-yl)ethanone
CID 114686188
1-(oxolan-3-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 103986247
1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone
CID 103986239

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2-(oxolan-3-yl)ethanone?
The IUPAC name of 1-(5-bromofuran-2-yl)-2-(oxolan-3-yl)ethanone (CID 130900994) is 1-(5-bromofuran-2-yl)-2-(oxolan-3-yl)ethanone.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2-(oxolan-3-yl)ethanone?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2-(oxolan-3-yl)ethanone is O=C(CC1CCOC1)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2-(oxolan-3-yl)ethanone?
The InChIKey is WRSYMTMHQWIEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c11-10-2-1-9(14-10)8(12)5-7-3-4-13-6-7/h1-2,7H,3-6H2.
What are the key properties of 1-(5-bromofuran-2-yl)-2-(oxolan-3-yl)ethanone?
1-(5-bromofuran-2-yl)-2-(oxolan-3-yl)ethanone has a molecular weight of 259.10 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-2-(oxolan-3-yl)ethanone is sourced from PubChem (CID 130900994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).