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

C9H13BrO3 — CID 63948408

IUPAC2-(3-bromofuran-2-yl)-4-methoxybutan-2-ol
SMILESCOCCC(C)(O)c1occc1Br
InChIInChI=1S/C9H13BrO3/c1-9(11,4-6-12-2)8-7(10)3-5-13-8/h3,5,11H,4,6H2,1-2H3
InChIKeyRDRLNQQSKUALTC-UHFFFAOYSA-N
MW249.10 g/mol
LogP2.29
Rot. Bonds4

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

2-(3-bromofuran-2-yl)-4-methoxybutan-2-ol (PubChem CID 63948408) has the molecular formula C9H13BrO3 and a molecular weight of 249.10 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-4-methoxybutan-2-ol.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-4-methoxybutan-2-ol
PubChem CID63948408
Molecular FormulaC9H13BrO3
Molecular Weight249.10 g/mol
Exact Mass248.00
IUPAC Name2-(3-bromofuran-2-yl)-4-methoxybutan-2-ol
SMILESCOCCC(C)(O)c1occc1Br
InChIInChI=1S/C9H13BrO3/c1-9(11,4-6-12-2)8-7(10)3-5-13-8/h3,5,11H,4,6H2,1-2H3
InChIKeyRDRLNQQSKUALTC-UHFFFAOYSA-N
XLogP2.29
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromofuran-2-yl)-4-(2-methoxyethylamino)butan-2-ol
CID 66002880
2-(furan-2-yl)-4-methoxybutan-2-ol
CID 63949969
2-(3-bromofuran-2-yl)-1-(4-fluorophenyl)propan-2-ol
CID 114833043
2-(3-bromofuran-2-yl)-3-methylbutan-2-ol
CID 63950641
2-(3-bromofuran-2-yl)-3,3-dimethylbutan-2-amine
CID 165353121
1-(3-bromofuran-2-yl)-1-(4-ethylphenyl)ethanol
CID 63948584
4-(3-bromofuran-2-yl)-4-methylpentan-2-ol
CID 64716188
1-(3-bromofuran-2-yl)-1-(2-bromophenyl)ethanol
CID 63948398
2-(4-ethylphenyl)-4-methoxybutan-2-ol
CID 62543730
1-(3-bromofuran-2-yl)-1-(3,4-dimethylphenyl)ethanol
CID 63948585
1-(3-bromofuran-2-yl)-1-(3-methylthiophen-2-yl)ethanol
CID 63992707
3-(3-bromofuran-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81034088

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-4-methoxybutan-2-ol?
The IUPAC name of 2-(3-bromofuran-2-yl)-4-methoxybutan-2-ol (CID 63948408) is 2-(3-bromofuran-2-yl)-4-methoxybutan-2-ol.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-4-methoxybutan-2-ol?
The canonical SMILES for 2-(3-bromofuran-2-yl)-4-methoxybutan-2-ol is COCCC(C)(O)c1occc1Br.
What is the InChIKey of 2-(3-bromofuran-2-yl)-4-methoxybutan-2-ol?
The InChIKey is RDRLNQQSKUALTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrO3/c1-9(11,4-6-12-2)8-7(10)3-5-13-8/h3,5,11H,4,6H2,1-2H3.
What are the key properties of 2-(3-bromofuran-2-yl)-4-methoxybutan-2-ol?
2-(3-bromofuran-2-yl)-4-methoxybutan-2-ol has a molecular weight of 249.10 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-4-methoxybutan-2-ol is sourced from PubChem (CID 63948408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).