1-(3-bromofuran-2-yl)-3-(oxan-2-yl)propan-1-ol

C12H17BrO3 — CID 115800610

IUPAC1-(3-bromofuran-2-yl)-3-(oxan-2-yl)propan-1-ol
SMILESOC(CCC1CCCCO1)c1occc1Br
InChIInChI=1S/C12H17BrO3/c13-10-6-8-16-12(10)11(14)5-4-9-3-1-2-7-15-9/h6,8-9,11,14H,1-5,7H2
InChIKeyXDNRMDBRROIFIE-UHFFFAOYSA-N
MW289.17 g/mol
LogP3.42
Rot. Bonds4

About 1-(3-bromofuran-2-yl)-3-(oxan-2-yl)propan-1-ol

1-(3-bromofuran-2-yl)-3-(oxan-2-yl)propan-1-ol (PubChem CID 115800610) has the molecular formula C12H17BrO3 and a molecular weight of 289.17 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-3-(oxan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-3-(oxan-2-yl)propan-1-ol
PubChem CID115800610
Molecular FormulaC12H17BrO3
Molecular Weight289.17 g/mol
Exact Mass288.04
IUPAC Name1-(3-bromofuran-2-yl)-3-(oxan-2-yl)propan-1-ol
SMILESOC(CCC1CCCCO1)c1occc1Br
InChIInChI=1S/C12H17BrO3/c13-10-6-8-16-12(10)11(14)5-4-9-3-1-2-7-15-9/h6,8-9,11,14H,1-5,7H2
InChIKeyXDNRMDBRROIFIE-UHFFFAOYSA-N
XLogP3.42
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 115861332
1-(3-bromofuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 115861250
1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-ol
CID 63952380
1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol
CID 65162067
1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol
CID 79597707
1-(2,3-difluoro-4-methylphenyl)-3-(oxan-2-yl)propan-1-ol
CID 107516246
3-(oxan-2-yl)-1-(2,3,4-trifluorophenyl)propan-1-ol
CID 115797020
1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 63943419
1-(3-bromophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161913
1-(3-bromofuran-2-yl)-2-(oxan-4-yl)ethanol
CID 106886280
1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107985732
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-3-(oxan-2-yl)propan-1-ol?
The IUPAC name of 1-(3-bromofuran-2-yl)-3-(oxan-2-yl)propan-1-ol (CID 115800610) is 1-(3-bromofuran-2-yl)-3-(oxan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-3-(oxan-2-yl)propan-1-ol?
The canonical SMILES for 1-(3-bromofuran-2-yl)-3-(oxan-2-yl)propan-1-ol is OC(CCC1CCCCO1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-3-(oxan-2-yl)propan-1-ol?
The InChIKey is XDNRMDBRROIFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO3/c13-10-6-8-16-12(10)11(14)5-4-9-3-1-2-7-15-9/h6,8-9,11,14H,1-5,7H2.
What are the key properties of 1-(3-bromofuran-2-yl)-3-(oxan-2-yl)propan-1-ol?
1-(3-bromofuran-2-yl)-3-(oxan-2-yl)propan-1-ol has a molecular weight of 289.17 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-3-(oxan-2-yl)propan-1-ol is sourced from PubChem (CID 115800610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).