1-(2-methylfuran-3-yl)butan-1-ol

C9H14O2 — CID 104789531

IUPAC1-(2-methylfuran-3-yl)butan-1-ol
SMILESCCCC(O)c1ccoc1C
InChIInChI=1S/C9H14O2/c1-3-4-9(10)8-5-6-11-7(8)2/h5-6,9-10H,3-4H2,1-2H3
InChIKeyWCJCYVNQADZZTK-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.42
Rot. Bonds3

About 1-(2-methylfuran-3-yl)butan-1-ol

1-(2-methylfuran-3-yl)butan-1-ol (PubChem CID 104789531) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(2-methylfuran-3-yl)butan-1-ol.

Molecular Properties

Compound Name1-(2-methylfuran-3-yl)butan-1-ol
PubChem CID104789531
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-(2-methylfuran-3-yl)butan-1-ol
SMILESCCCC(O)c1ccoc1C
InChIInChI=1S/C9H14O2/c1-3-4-9(10)8-5-6-11-7(8)2/h5-6,9-10H,3-4H2,1-2H3
InChIKeyWCJCYVNQADZZTK-UHFFFAOYSA-N
XLogP2.42
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(2-methylfuran-3-yl)pentan-1-ol
CID 104789423
5-methyl-1-(2-methylfuran-3-yl)hexan-1-ol
CID 104789560
1-(2-methylfuran-3-yl)butan-1-amine
CID 82416832
2-(3,5-dimethylphenyl)-1-(2-methylfuran-3-yl)ethanol
CID 104789418
1-(2-methylfuran-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 104789442
1-(2-bromofuran-3-yl)heptan-1-ol
CID 106859123
1-(2-methylfuran-3-yl)-2-pyridin-3-ylethanol
CID 104789605
1-(2-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 104789529
(4-butylphenyl)-(2-methylfuran-3-yl)methanol
CID 61089435
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylfuran-3-yl)ethanol
CID 104789623
1-(4-methylfuran-3-yl)butan-1-ol
CID 130822958
2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanol
CID 130846062

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylfuran-3-yl)butan-1-ol?
The IUPAC name of 1-(2-methylfuran-3-yl)butan-1-ol (CID 104789531) is 1-(2-methylfuran-3-yl)butan-1-ol.
What is the SMILES notation for 1-(2-methylfuran-3-yl)butan-1-ol?
The canonical SMILES for 1-(2-methylfuran-3-yl)butan-1-ol is CCCC(O)c1ccoc1C.
What is the InChIKey of 1-(2-methylfuran-3-yl)butan-1-ol?
The InChIKey is WCJCYVNQADZZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-4-9(10)8-5-6-11-7(8)2/h5-6,9-10H,3-4H2,1-2H3.
What are the key properties of 1-(2-methylfuran-3-yl)butan-1-ol?
1-(2-methylfuran-3-yl)butan-1-ol has a molecular weight of 154.21 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylfuran-3-yl)butan-1-ol is sourced from PubChem (CID 104789531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).