4-(1-benzofuran-6-yl)butan-1-ol

C12H14O2 — CID 173058838

IUPAC4-(1-benzofuran-6-yl)butan-1-ol
SMILESOCCCCc1ccc2ccoc2c1
InChIInChI=1S/C12H14O2/c13-7-2-1-3-10-4-5-11-6-8-14-12(11)9-10/h4-6,8-9,13H,1-3,7H2
InChIKeyHTZNUDBZKKOWCV-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.75
Rot. Bonds4

About 4-(1-benzofuran-6-yl)butan-1-ol

4-(1-benzofuran-6-yl)butan-1-ol (PubChem CID 173058838) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-(1-benzofuran-6-yl)butan-1-ol.

Molecular Properties

Compound Name4-(1-benzofuran-6-yl)butan-1-ol
PubChem CID173058838
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name4-(1-benzofuran-6-yl)butan-1-ol
SMILESOCCCCc1ccc2ccoc2c1
InChIInChI=1S/C12H14O2/c13-7-2-1-3-10-4-5-11-6-8-14-12(11)9-10/h4-6,8-9,13H,1-3,7H2
InChIKeyHTZNUDBZKKOWCV-UHFFFAOYSA-N
XLogP2.75
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(1-benzofuran-6-yl)butan-1-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 4-(1-benzofuran-6-yl)butan-1-ol?
The IUPAC name of 4-(1-benzofuran-6-yl)butan-1-ol (CID 173058838) is 4-(1-benzofuran-6-yl)butan-1-ol.
What is the SMILES notation for 4-(1-benzofuran-6-yl)butan-1-ol?
The canonical SMILES for 4-(1-benzofuran-6-yl)butan-1-ol is OCCCCc1ccc2ccoc2c1.
What is the InChIKey of 4-(1-benzofuran-6-yl)butan-1-ol?
The InChIKey is HTZNUDBZKKOWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-7-2-1-3-10-4-5-11-6-8-14-12(11)9-10/h4-6,8-9,13H,1-3,7H2.
What are the key properties of 4-(1-benzofuran-6-yl)butan-1-ol?
4-(1-benzofuran-6-yl)butan-1-ol has a molecular weight of 190.24 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-6-yl)butan-1-ol is sourced from PubChem (CID 173058838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).