1-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-1,3-dihydro-2-benzofuran-4-ol

C14H16O3 — CID 170988933

IUPAC1-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-1,3-dihydro-2-benzofuran-4-ol
SMILESCC(O)/C=C/C=C/C1OCc2c(O)cccc21
InChIInChI=1S/C14H16O3/c1-10(15)5-2-3-8-14-11-6-4-7-13(16)12(11)9-17-14/h2-8,10,14-16H,9H2,1H3/b5-2+,8-3+
InChIKeyZRXNEAWUHJIGDY-QKVOYMTASA-N
MW232.28 g/mol
LogP2.46
Rot. Bonds3

About 1-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-1,3-dihydro-2-benzofuran-4-ol

1-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-1,3-dihydro-2-benzofuran-4-ol (PubChem CID 170988933) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-1,3-dihydro-2-benzofuran-4-ol.

Molecular Properties

Compound Name1-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-1,3-dihydro-2-benzofuran-4-ol
PubChem CID170988933
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name1-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-1,3-dihydro-2-benzofuran-4-ol
SMILESCC(O)/C=C/C=C/C1OCc2c(O)cccc21
InChIInChI=1S/C14H16O3/c1-10(15)5-2-3-8-14-11-6-4-7-13(16)12(11)9-17-14/h2-8,10,14-16H,9H2,1H3/b5-2+,8-3+
InChIKeyZRXNEAWUHJIGDY-QKVOYMTASA-N
XLogP2.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-1,3-dihydro-2-benzofuran-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-1,3-dihydro-2-benzofuran-4-ol?
The IUPAC name of 1-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-1,3-dihydro-2-benzofuran-4-ol (CID 170988933) is 1-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-1,3-dihydro-2-benzofuran-4-ol.
What is the SMILES notation for 1-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-1,3-dihydro-2-benzofuran-4-ol?
The canonical SMILES for 1-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-1,3-dihydro-2-benzofuran-4-ol is CC(O)/C=C/C=C/C1OCc2c(O)cccc21.
What is the InChIKey of 1-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-1,3-dihydro-2-benzofuran-4-ol?
The InChIKey is ZRXNEAWUHJIGDY-QKVOYMTASA-N. The full InChI is InChI=1S/C14H16O3/c1-10(15)5-2-3-8-14-11-6-4-7-13(16)12(11)9-17-14/h2-8,10,14-16H,9H2,1H3/b5-2+,8-3+.
What are the key properties of 1-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-1,3-dihydro-2-benzofuran-4-ol?
1-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-1,3-dihydro-2-benzofuran-4-ol has a molecular weight of 232.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-1,3-dihydro-2-benzofuran-4-ol is sourced from PubChem (CID 170988933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).