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

C8H11BrO2 — CID 106859599

IUPAC1-(2-bromofuran-3-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)c1ccoc1Br
InChIInChI=1S/C8H11BrO2/c1-5(2)7(10)6-3-4-11-8(6)9/h3-5,7,10H,1-2H3
InChIKeyYJOOQVFLTWOFEG-UHFFFAOYSA-N
MW219.08 g/mol
LogP2.73
Rot. Bonds2

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

1-(2-bromofuran-3-yl)-2-methylpropan-1-ol (PubChem CID 106859599) has the molecular formula C8H11BrO2 and a molecular weight of 219.08 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-2-methylpropan-1-ol
PubChem CID106859599
Molecular FormulaC8H11BrO2
Molecular Weight219.08 g/mol
Exact Mass217.99
IUPAC Name1-(2-bromofuran-3-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)c1ccoc1Br
InChIInChI=1S/C8H11BrO2/c1-5(2)7(10)6-3-4-11-8(6)9/h3-5,7,10H,1-2H3
InChIKeyYJOOQVFLTWOFEG-UHFFFAOYSA-N
XLogP2.73
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 106855316
1-(2-bromofuran-3-yl)-2-methoxyethanol
CID 106859379
1-(2-bromofuran-3-yl)heptan-1-ol
CID 106859123
3-amino-1-(2-bromofuran-3-yl)-2-(4-methoxyphenyl)propan-1-ol
CID 106856327
(2-bromofuran-3-yl)-(3,5-dimethylcyclohexyl)methanol
CID 106859285
1-(2-bromofuran-3-yl)propan-1-amine
CID 103846080
(2-bromofuran-3-yl)-(4-methyl-3-pyridinyl)methanol
CID 106859365
(2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol
CID 106855309
(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanol
CID 106859200
1-(2-chlorofuran-3-yl)-2-methylbutan-1-ol
CID 106693915
1-(2-bromofuran-3-yl)-N-ethyl-3-methylbutan-1-amine
CID 106856891
(2-bromofuran-3-yl)-(2-methylphenyl)methanamine
CID 106856979

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-(2-bromofuran-3-yl)-2-methylpropan-1-ol (CID 106859599) is 1-(2-bromofuran-3-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(2-bromofuran-3-yl)-2-methylpropan-1-ol is CC(C)C(O)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-2-methylpropan-1-ol?
The InChIKey is YJOOQVFLTWOFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrO2/c1-5(2)7(10)6-3-4-11-8(6)9/h3-5,7,10H,1-2H3.
What are the key properties of 1-(2-bromofuran-3-yl)-2-methylpropan-1-ol?
1-(2-bromofuran-3-yl)-2-methylpropan-1-ol has a molecular weight of 219.08 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 106859599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).