2-(3-bromofuran-2-yl)-3-methylbutan-2-ol

C9H13BrO2 — CID 63950641

IUPAC2-(3-bromofuran-2-yl)-3-methylbutan-2-ol
SMILESCC(C)C(C)(O)c1occc1Br
InChIInChI=1S/C9H13BrO2/c1-6(2)9(3,11)8-7(10)4-5-12-8/h4-6,11H,1-3H3
InChIKeyYCYFFYHZLWFWOG-UHFFFAOYSA-N
MW233.10 g/mol
LogP2.91
Rot. Bonds2

About 2-(3-bromofuran-2-yl)-3-methylbutan-2-ol

2-(3-bromofuran-2-yl)-3-methylbutan-2-ol (PubChem CID 63950641) has the molecular formula C9H13BrO2 and a molecular weight of 233.10 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-3-methylbutan-2-ol
PubChem CID63950641
Molecular FormulaC9H13BrO2
Molecular Weight233.10 g/mol
Exact Mass232.01
IUPAC Name2-(3-bromofuran-2-yl)-3-methylbutan-2-ol
SMILESCC(C)C(C)(O)c1occc1Br
InChIInChI=1S/C9H13BrO2/c1-6(2)9(3,11)8-7(10)4-5-12-8/h4-6,11H,1-3H3
InChIKeyYCYFFYHZLWFWOG-UHFFFAOYSA-N
XLogP2.91
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-3-methylbutan-2-ol?
The IUPAC name of 2-(3-bromofuran-2-yl)-3-methylbutan-2-ol (CID 63950641) is 2-(3-bromofuran-2-yl)-3-methylbutan-2-ol.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-3-methylbutan-2-ol?
The canonical SMILES for 2-(3-bromofuran-2-yl)-3-methylbutan-2-ol is CC(C)C(C)(O)c1occc1Br.
What is the InChIKey of 2-(3-bromofuran-2-yl)-3-methylbutan-2-ol?
The InChIKey is YCYFFYHZLWFWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrO2/c1-6(2)9(3,11)8-7(10)4-5-12-8/h4-6,11H,1-3H3.
What are the key properties of 2-(3-bromofuran-2-yl)-3-methylbutan-2-ol?
2-(3-bromofuran-2-yl)-3-methylbutan-2-ol has a molecular weight of 233.10 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 63950641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).