1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol

C11H15BrO3 — CID 65162067

IUPAC1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol
SMILESOC(CCC1CCCO1)c1ccc(Br)o1
InChIInChI=1S/C11H15BrO3/c12-11-6-5-10(15-11)9(13)4-3-8-2-1-7-14-8/h5-6,8-9,13H,1-4,7H2
InChIKeyUSYXHLNQEXFSRB-UHFFFAOYSA-N
MW275.14 g/mol
LogP3.03
Rot. Bonds4

About 1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol

1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol (PubChem CID 65162067) has the molecular formula C11H15BrO3 and a molecular weight of 275.14 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol
PubChem CID65162067
Molecular FormulaC11H15BrO3
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol
SMILESOC(CCC1CCCO1)c1ccc(Br)o1
InChIInChI=1S/C11H15BrO3/c12-11-6-5-10(15-11)9(13)4-3-8-2-1-7-14-8/h5-6,8-9,13H,1-4,7H2
InChIKeyUSYXHLNQEXFSRB-UHFFFAOYSA-N
XLogP3.03
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-hydroxy-3-(oxolan-2-yl)propyl]furan-2-carboxylic acid
CID 106947334
1-(5-bromofuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993311
1-(3-bromophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161913
1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107985732
1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 115809368
1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol
CID 79597707
1-(3-bromofuran-2-yl)-3-(oxan-2-yl)propan-1-ol
CID 115800610
1-(7-fluoro-1-benzofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol
CID 115836935
3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 65160613
1-(4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160366
3-(oxolan-2-yl)-1-pyridin-2-ylpropan-1-ol
CID 65161757
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107516231

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol (CID 65162067) is 1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol is OC(CCC1CCCO1)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol?
The InChIKey is USYXHLNQEXFSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3/c12-11-6-5-10(15-11)9(13)4-3-8-2-1-7-14-8/h5-6,8-9,13H,1-4,7H2.
What are the key properties of 1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol?
1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol has a molecular weight of 275.14 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol is sourced from PubChem (CID 65162067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).