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

C9H13BrO2 — CID 63943593

IUPAC1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1occc1Br
InChIInChI=1S/C9H13BrO2/c1-3-6(2)8(11)9-7(10)4-5-12-9/h4-6,8,11H,3H2,1-2H3
InChIKeyYNSMGQQAURPHCP-UHFFFAOYSA-N
MW233.10 g/mol
LogP3.12
Rot. Bonds3

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

1-(3-bromofuran-2-yl)-2-methylbutan-1-ol (PubChem CID 63943593) has the molecular formula C9H13BrO2 and a molecular weight of 233.10 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
PubChem CID63943593
Molecular FormulaC9H13BrO2
Molecular Weight233.10 g/mol
Exact Mass232.01
IUPAC Name1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1occc1Br
InChIInChI=1S/C9H13BrO2/c1-3-6(2)8(11)9-7(10)4-5-12-9/h4-6,8,11H,3H2,1-2H3
InChIKeyYNSMGQQAURPHCP-UHFFFAOYSA-N
XLogP3.12
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-bromofuran-2-yl)-2-methylpropan-1-ol
CID 106889652
1-(3-bromofuran-2-yl)pentane-1,2-diol
CID 103454948
3-(3-bromofuran-2-yl)-3-hydroxy-2-methylpropanenitrile
CID 106889617
ethyl 2-(3-bromofuran-2-yl)propanoate
CID 101398465
1-(3-bromofuran-2-yl)-2-ethylbutane-1,2-diol
CID 103449389
1-(3-bromofuran-2-yl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752637
1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine
CID 115861224
3-(3-bromofuran-2-yl)-2,3-dihydroxypropanamide
CID 171869605
1-(3-bromofuran-2-yl)-N-ethyl-N-methylethanamine
CID 130621385
(3-bromofuran-2-yl)-(2-ethoxyphenyl)methanol
CID 63941239
1-(3-bromofuran-2-yl)-3-ethylheptan-1-ol
CID 106886301
[1-(3-bromofuran-2-yl)-3-methylpentyl]hydrazine
CID 105309164

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-methylbutan-1-ol?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-methylbutan-1-ol (CID 63943593) is 1-(3-bromofuran-2-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-methylbutan-1-ol?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-methylbutan-1-ol is CCC(C)C(O)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-methylbutan-1-ol?
The InChIKey is YNSMGQQAURPHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrO2/c1-3-6(2)8(11)9-7(10)4-5-12-9/h4-6,8,11H,3H2,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-2-methylbutan-1-ol?
1-(3-bromofuran-2-yl)-2-methylbutan-1-ol has a molecular weight of 233.10 g/mol, XLogP of 3.12, 3 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)-2-methylbutan-1-ol is sourced from PubChem (CID 63943593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).