1-(5-bromofuran-3-yl)-2-methylprop-2-en-1-ol

C8H9BrO2 — CID 130748377

IUPAC1-(5-bromofuran-3-yl)-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1coc(Br)c1
InChIInChI=1S/C8H9BrO2/c1-5(2)8(10)6-3-7(9)11-4-6/h3-4,8,10H,1H2,2H3
InChIKeyGINOTOPJUFXYKU-UHFFFAOYSA-N
MW217.06 g/mol
LogP2.65
Rot. Bonds2

About 1-(5-bromofuran-3-yl)-2-methylprop-2-en-1-ol

1-(5-bromofuran-3-yl)-2-methylprop-2-en-1-ol (PubChem CID 130748377) has the molecular formula C8H9BrO2 and a molecular weight of 217.06 g/mol. Its IUPAC name is 1-(5-bromofuran-3-yl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name1-(5-bromofuran-3-yl)-2-methylprop-2-en-1-ol
PubChem CID130748377
Molecular FormulaC8H9BrO2
Molecular Weight217.06 g/mol
Exact Mass215.98
IUPAC Name1-(5-bromofuran-3-yl)-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1coc(Br)c1
InChIInChI=1S/C8H9BrO2/c1-5(2)8(10)6-3-7(9)11-4-6/h3-4,8,10H,1H2,2H3
InChIKeyGINOTOPJUFXYKU-UHFFFAOYSA-N
XLogP2.65
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-(dimethoxymethyl)furan
CID 86156507
1-(3-bromo-4-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79190451
1-(5-bromofuran-3-yl)pent-3-yn-1-ol
CID 130735935
(1R)-1-(3,5-dimethylphenyl)-2-methylprop-2-en-1-ol
CID 124511678
1-(5-bromofuran-2-yl)-2-methylprop-2-en-1-ol
CID 79189901
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylprop-2-en-1-ol
CID 115817275
(5-bromofuran-3-yl)-(2-chlorothiophen-3-yl)methanol
CID 130654931
1-[3-(difluoromethyl)phenyl]-2-methylprop-2-en-1-ol
CID 115527715
1-(2,4-dibromophenyl)-2-methylprop-2-en-1-ol
CID 107947627
2-methyl-1-(5-methyl-3-pyridinyl)prop-2-en-1-ol
CID 105110452
6-(1-hydroxy-2-methylprop-2-enyl)naphthalen-2-ol
CID 167237943
(5-bromofuran-3-yl)-(5-methylthiophen-3-yl)methanamine
CID 130747012

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-3-yl)-2-methylprop-2-en-1-ol?
The IUPAC name of 1-(5-bromofuran-3-yl)-2-methylprop-2-en-1-ol (CID 130748377) is 1-(5-bromofuran-3-yl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for 1-(5-bromofuran-3-yl)-2-methylprop-2-en-1-ol?
The canonical SMILES for 1-(5-bromofuran-3-yl)-2-methylprop-2-en-1-ol is C=C(C)C(O)c1coc(Br)c1.
What is the InChIKey of 1-(5-bromofuran-3-yl)-2-methylprop-2-en-1-ol?
The InChIKey is GINOTOPJUFXYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO2/c1-5(2)8(10)6-3-7(9)11-4-6/h3-4,8,10H,1H2,2H3.
What are the key properties of 1-(5-bromofuran-3-yl)-2-methylprop-2-en-1-ol?
1-(5-bromofuran-3-yl)-2-methylprop-2-en-1-ol has a molecular weight of 217.06 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-3-yl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 130748377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).