2-(furan-3-yl)butan-2-ol

C8H12O2 — CID 63948542

IUPAC2-(furan-3-yl)butan-2-ol
SMILESCCC(C)(O)c1ccoc1
InChIInChI=1S/C8H12O2/c1-3-8(2,9)7-4-5-10-6-7/h4-6,9H,3H2,1-2H3
InChIKeyIBSKWFXRPUEOQK-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.90
Rot. Bonds2

About 2-(furan-3-yl)butan-2-ol

2-(furan-3-yl)butan-2-ol (PubChem CID 63948542) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-(furan-3-yl)butan-2-ol.

Molecular Properties

Compound Name2-(furan-3-yl)butan-2-ol
PubChem CID63948542
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-(furan-3-yl)butan-2-ol
SMILESCCC(C)(O)c1ccoc1
InChIInChI=1S/C8H12O2/c1-3-8(2,9)7-4-5-10-6-7/h4-6,9H,3H2,1-2H3
InChIKeyIBSKWFXRPUEOQK-UHFFFAOYSA-N
XLogP1.90
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)butan-2-ol?
The IUPAC name of 2-(furan-3-yl)butan-2-ol (CID 63948542) is 2-(furan-3-yl)butan-2-ol.
What is the SMILES notation for 2-(furan-3-yl)butan-2-ol?
The canonical SMILES for 2-(furan-3-yl)butan-2-ol is CCC(C)(O)c1ccoc1.
What is the InChIKey of 2-(furan-3-yl)butan-2-ol?
The InChIKey is IBSKWFXRPUEOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-8(2,9)7-4-5-10-6-7/h4-6,9H,3H2,1-2H3.
What are the key properties of 2-(furan-3-yl)butan-2-ol?
2-(furan-3-yl)butan-2-ol has a molecular weight of 140.18 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)butan-2-ol is sourced from PubChem (CID 63948542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).