1-(3-bromofuran-2-yl)hexan-3-ol

C10H15BrO2 — CID 64513222

IUPAC1-(3-bromofuran-2-yl)hexan-3-ol
SMILESCCCC(O)CCc1occc1Br
InChIInChI=1S/C10H15BrO2/c1-2-3-8(12)4-5-10-9(11)6-7-13-10/h6-8,12H,2-5H2,1H3
InChIKeyILJIRWYINBWVMT-UHFFFAOYSA-N
MW247.13 g/mol
LogP3.14
Rot. Bonds5

About 1-(3-bromofuran-2-yl)hexan-3-ol

1-(3-bromofuran-2-yl)hexan-3-ol (PubChem CID 64513222) has the molecular formula C10H15BrO2 and a molecular weight of 247.13 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)hexan-3-ol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)hexan-3-ol
PubChem CID64513222
Molecular FormulaC10H15BrO2
Molecular Weight247.13 g/mol
Exact Mass246.03
IUPAC Name1-(3-bromofuran-2-yl)hexan-3-ol
SMILESCCCC(O)CCc1occc1Br
InChIInChI=1S/C10H15BrO2/c1-2-3-8(12)4-5-10-9(11)6-7-13-10/h6-8,12H,2-5H2,1H3
InChIKeyILJIRWYINBWVMT-UHFFFAOYSA-N
XLogP3.14
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)hexan-3-ol?
The IUPAC name of 1-(3-bromofuran-2-yl)hexan-3-ol (CID 64513222) is 1-(3-bromofuran-2-yl)hexan-3-ol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)hexan-3-ol?
The canonical SMILES for 1-(3-bromofuran-2-yl)hexan-3-ol is CCCC(O)CCc1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)hexan-3-ol?
The InChIKey is ILJIRWYINBWVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrO2/c1-2-3-8(12)4-5-10-9(11)6-7-13-10/h6-8,12H,2-5H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)hexan-3-ol?
1-(3-bromofuran-2-yl)hexan-3-ol has a molecular weight of 247.13 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)hexan-3-ol is sourced from PubChem (CID 64513222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).