2-(furan-3-ylmethylidene)butan-1-ol

C9H12O2 — CID 79334413

IUPAC2-(furan-3-ylmethylidene)butan-1-ol
SMILESCCC(=Cc1ccoc1)CO
InChIInChI=1S/C9H12O2/c1-2-8(6-10)5-9-3-4-11-7-9/h3-5,7,10H,2,6H2,1H3
InChIKeyOJWAOQQLWMGFCL-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.07
Rot. Bonds3

About 2-(furan-3-ylmethylidene)butan-1-ol

2-(furan-3-ylmethylidene)butan-1-ol (PubChem CID 79334413) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-(furan-3-ylmethylidene)butan-1-ol.

Molecular Properties

Compound Name2-(furan-3-ylmethylidene)butan-1-ol
PubChem CID79334413
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-(furan-3-ylmethylidene)butan-1-ol
SMILESCCC(=Cc1ccoc1)CO
InChIInChI=1S/C9H12O2/c1-2-8(6-10)5-9-3-4-11-7-9/h3-5,7,10H,2,6H2,1H3
InChIKeyOJWAOQQLWMGFCL-UHFFFAOYSA-N
XLogP2.07
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylmethylidene)butan-1-ol?
The IUPAC name of 2-(furan-3-ylmethylidene)butan-1-ol (CID 79334413) is 2-(furan-3-ylmethylidene)butan-1-ol.
What is the SMILES notation for 2-(furan-3-ylmethylidene)butan-1-ol?
The canonical SMILES for 2-(furan-3-ylmethylidene)butan-1-ol is CCC(=Cc1ccoc1)CO.
What is the InChIKey of 2-(furan-3-ylmethylidene)butan-1-ol?
The InChIKey is OJWAOQQLWMGFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-8(6-10)5-9-3-4-11-7-9/h3-5,7,10H,2,6H2,1H3.
What are the key properties of 2-(furan-3-ylmethylidene)butan-1-ol?
2-(furan-3-ylmethylidene)butan-1-ol has a molecular weight of 152.19 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylmethylidene)butan-1-ol is sourced from PubChem (CID 79334413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).