4-(3-bromofuran-2-yl)-4-methylpentan-2-ol

C10H15BrO2 — CID 64716188

IUPAC4-(3-bromofuran-2-yl)-4-methylpentan-2-ol
SMILESCC(O)CC(C)(C)c1occc1Br
InChIInChI=1S/C10H15BrO2/c1-7(12)6-10(2,3)9-8(11)4-5-13-9/h4-5,7,12H,6H2,1-3H3
InChIKeyZAXZJIBBOANBIH-UHFFFAOYSA-N
MW247.13 g/mol
LogP3.09
Rot. Bonds3

About 4-(3-bromofuran-2-yl)-4-methylpentan-2-ol

4-(3-bromofuran-2-yl)-4-methylpentan-2-ol (PubChem CID 64716188) has the molecular formula C10H15BrO2 and a molecular weight of 247.13 g/mol. Its IUPAC name is 4-(3-bromofuran-2-yl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name4-(3-bromofuran-2-yl)-4-methylpentan-2-ol
PubChem CID64716188
Molecular FormulaC10H15BrO2
Molecular Weight247.13 g/mol
Exact Mass246.03
IUPAC Name4-(3-bromofuran-2-yl)-4-methylpentan-2-ol
SMILESCC(O)CC(C)(C)c1occc1Br
InChIInChI=1S/C10H15BrO2/c1-7(12)6-10(2,3)9-8(11)4-5-13-9/h4-5,7,12H,6H2,1-3H3
InChIKeyZAXZJIBBOANBIH-UHFFFAOYSA-N
XLogP3.09
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromofuran-2-yl)-4-methylpentan-2-ol?
The IUPAC name of 4-(3-bromofuran-2-yl)-4-methylpentan-2-ol (CID 64716188) is 4-(3-bromofuran-2-yl)-4-methylpentan-2-ol.
What is the SMILES notation for 4-(3-bromofuran-2-yl)-4-methylpentan-2-ol?
The canonical SMILES for 4-(3-bromofuran-2-yl)-4-methylpentan-2-ol is CC(O)CC(C)(C)c1occc1Br.
What is the InChIKey of 4-(3-bromofuran-2-yl)-4-methylpentan-2-ol?
The InChIKey is ZAXZJIBBOANBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrO2/c1-7(12)6-10(2,3)9-8(11)4-5-13-9/h4-5,7,12H,6H2,1-3H3.
What are the key properties of 4-(3-bromofuran-2-yl)-4-methylpentan-2-ol?
4-(3-bromofuran-2-yl)-4-methylpentan-2-ol has a molecular weight of 247.13 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromofuran-2-yl)-4-methylpentan-2-ol is sourced from PubChem (CID 64716188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).