4,5,6,7-tetrahydro-2H-1-benzofuran-2-ide;yttrium

C8H9OY- — CID 135039660

IUPAC4,5,6,7-tetrahydro-2H-1-benzofuran-2-ide;yttrium
SMILES[Y].[c-]1cc2c(o1)CCCC2
InChIInChI=1S/C8H9O.Y/c1-2-4-8-7(3-1)5-6-9-8;/h5H,1-4H2;/q-1;
InChIKeyOEVRTDWMLJXQNM-UHFFFAOYSA-N
MW210.06 g/mol
LogP1.96
Rot. Bonds

About 4,5,6,7-tetrahydro-2H-1-benzofuran-2-ide;yttrium

4,5,6,7-tetrahydro-2H-1-benzofuran-2-ide;yttrium (PubChem CID 135039660) has the molecular formula C8H9OY- and a molecular weight of 210.06 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-2H-1-benzofuran-2-ide;yttrium.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-2H-1-benzofuran-2-ide;yttrium
PubChem CID135039660
Molecular FormulaC8H9OY-
Molecular Weight210.06 g/mol
Exact Mass209.97
IUPAC Name4,5,6,7-tetrahydro-2H-1-benzofuran-2-ide;yttrium
SMILES[Y].[c-]1cc2c(o1)CCCC2
InChIInChI=1S/C8H9O.Y/c1-2-4-8-7(3-1)5-6-9-8;/h5H,1-4H2;/q-1;
InChIKeyOEVRTDWMLJXQNM-UHFFFAOYSA-N
XLogP1.96
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.06
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,5,6,7-tetrahydro-2H-1-benzofuran-2-ide;yttrium 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 4,5,6,7-tetrahydro-2H-1-benzofuran-2-ide;yttrium?
The IUPAC name of 4,5,6,7-tetrahydro-2H-1-benzofuran-2-ide;yttrium (CID 135039660) is 4,5,6,7-tetrahydro-2H-1-benzofuran-2-ide;yttrium.
What is the SMILES notation for 4,5,6,7-tetrahydro-2H-1-benzofuran-2-ide;yttrium?
The canonical SMILES for 4,5,6,7-tetrahydro-2H-1-benzofuran-2-ide;yttrium is [Y].[c-]1cc2c(o1)CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-2H-1-benzofuran-2-ide;yttrium?
The InChIKey is OEVRTDWMLJXQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O.Y/c1-2-4-8-7(3-1)5-6-9-8;/h5H,1-4H2;/q-1;.
What are the key properties of 4,5,6,7-tetrahydro-2H-1-benzofuran-2-ide;yttrium?
4,5,6,7-tetrahydro-2H-1-benzofuran-2-ide;yttrium has a molecular weight of 210.06 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-2H-1-benzofuran-2-ide;yttrium is sourced from PubChem (CID 135039660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).