5-(4-hydroxybut-1-enyl)furan-2-carbaldehyde

C9H10O3 — CID 170475985

IUPAC5-(4-hydroxybut-1-enyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(C=CCCO)o1
InChIInChI=1S/C9H10O3/c10-6-2-1-3-8-4-5-9(7-11)12-8/h1,3-5,7,10H,2,6H2
InChIKeyOOJYOGRLLXGPFF-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.49
Rot. Bonds4

About 5-(4-hydroxybut-1-enyl)furan-2-carbaldehyde

5-(4-hydroxybut-1-enyl)furan-2-carbaldehyde (PubChem CID 170475985) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-(4-hydroxybut-1-enyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-hydroxybut-1-enyl)furan-2-carbaldehyde
PubChem CID170475985
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name5-(4-hydroxybut-1-enyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(C=CCCO)o1
InChIInChI=1S/C9H10O3/c10-6-2-1-3-8-4-5-9(7-11)12-8/h1,3-5,7,10H,2,6H2
InChIKeyOOJYOGRLLXGPFF-UHFFFAOYSA-N
XLogP1.49
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybut-1-enyl)furan-2-carbaldehyde?
The IUPAC name of 5-(4-hydroxybut-1-enyl)furan-2-carbaldehyde (CID 170475985) is 5-(4-hydroxybut-1-enyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(4-hydroxybut-1-enyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(4-hydroxybut-1-enyl)furan-2-carbaldehyde is O=Cc1ccc(C=CCCO)o1.
What is the InChIKey of 5-(4-hydroxybut-1-enyl)furan-2-carbaldehyde?
The InChIKey is OOJYOGRLLXGPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-6-2-1-3-8-4-5-9(7-11)12-8/h1,3-5,7,10H,2,6H2.
What are the key properties of 5-(4-hydroxybut-1-enyl)furan-2-carbaldehyde?
5-(4-hydroxybut-1-enyl)furan-2-carbaldehyde has a molecular weight of 166.18 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxybut-1-enyl)furan-2-carbaldehyde is sourced from PubChem (CID 170475985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).