(1R)-4-bromo-1-(5-methylfuran-2-yl)butan-1-ol

C9H13BrO2 — CID 125492717

IUPAC(1R)-4-bromo-1-(5-methylfuran-2-yl)butan-1-ol
SMILESCc1ccc([C@H](O)CCCBr)o1
InChIInChI=1S/C9H13BrO2/c1-7-4-5-9(12-7)8(11)3-2-6-10/h4-5,8,11H,2-3,6H2,1H3/t8-/m1/s1
InChIKeyOHWVSVNDVKWOHY-MRVPVSSYSA-N
MW233.10 g/mol
LogP2.80
Rot. Bonds4

About (1R)-4-bromo-1-(5-methylfuran-2-yl)butan-1-ol

(1R)-4-bromo-1-(5-methylfuran-2-yl)butan-1-ol (PubChem CID 125492717) has the molecular formula C9H13BrO2 and a molecular weight of 233.10 g/mol. Its IUPAC name is (1R)-4-bromo-1-(5-methylfuran-2-yl)butan-1-ol.

Molecular Properties

Compound Name(1R)-4-bromo-1-(5-methylfuran-2-yl)butan-1-ol
PubChem CID125492717
Molecular FormulaC9H13BrO2
Molecular Weight233.10 g/mol
Exact Mass232.01
IUPAC Name(1R)-4-bromo-1-(5-methylfuran-2-yl)butan-1-ol
SMILESCc1ccc([C@H](O)CCCBr)o1
InChIInChI=1S/C9H13BrO2/c1-7-4-5-9(12-7)8(11)3-2-6-10/h4-5,8,11H,2-3,6H2,1H3/t8-/m1/s1
InChIKeyOHWVSVNDVKWOHY-MRVPVSSYSA-N
XLogP2.80
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methylfuran-2-yl)butane-1,4-diol
CID 116861366
4-amino-1-(5-methylfuran-2-yl)butan-1-ol
CID 82412823
1-(5-methylfuran-2-yl)propan-1-ol
CID 14570731
2-(2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol
CID 63016605
2-(2-bromo-5-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol
CID 65150812
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CID 115646640
3-methyl-6-(5-methylfuran-2-yl)heptan-2-ol
CID 101334228
1-(5-bromofuran-2-yl)nonan-1-ol
CID 12603007
1-(5-methylfuran-2-yl)-2-piperazin-1-ylethanol
CID 3494816
2-(cyclopentylmethylamino)-1-(5-methylfuran-2-yl)ethanol
CID 115907721
2-(1-benzothiophen-3-yl)-1-(5-methylfuran-2-yl)ethanol
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1-(5-ethylfuran-2-yl)pentan-1-ol
CID 65149618

Frequently Asked Questions

What is the IUPAC name of (1R)-4-bromo-1-(5-methylfuran-2-yl)butan-1-ol?
The IUPAC name of (1R)-4-bromo-1-(5-methylfuran-2-yl)butan-1-ol (CID 125492717) is (1R)-4-bromo-1-(5-methylfuran-2-yl)butan-1-ol.
What is the SMILES notation for (1R)-4-bromo-1-(5-methylfuran-2-yl)butan-1-ol?
The canonical SMILES for (1R)-4-bromo-1-(5-methylfuran-2-yl)butan-1-ol is Cc1ccc([C@H](O)CCCBr)o1.
What is the InChIKey of (1R)-4-bromo-1-(5-methylfuran-2-yl)butan-1-ol?
The InChIKey is OHWVSVNDVKWOHY-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13BrO2/c1-7-4-5-9(12-7)8(11)3-2-6-10/h4-5,8,11H,2-3,6H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-4-bromo-1-(5-methylfuran-2-yl)butan-1-ol?
(1R)-4-bromo-1-(5-methylfuran-2-yl)butan-1-ol has a molecular weight of 233.10 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-bromo-1-(5-methylfuran-2-yl)butan-1-ol is sourced from PubChem (CID 125492717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).