7-methyl-3,4-dihydro-2H-1-benzofuran-4-ide-6-carbaldehyde;yttrium

C10H9O2Y- — CID 160876405

IUPAC7-methyl-3,4-dihydro-2H-1-benzofuran-4-ide-6-carbaldehyde;yttrium
SMILESCc1c(C=O)c[c-]c2c1OCC2.[Y]
InChIInChI=1S/C10H9O2.Y/c1-7-9(6-11)3-2-8-4-5-12-10(7)8;/h3,6H,4-5H2,1H3;/q-1;
InChIKeyQPQCGALEPUQLDI-UHFFFAOYSA-N
MW250.09 g/mol
LogP1.54
Rot. Bonds1

About 7-methyl-3,4-dihydro-2H-1-benzofuran-4-ide-6-carbaldehyde;yttrium

7-methyl-3,4-dihydro-2H-1-benzofuran-4-ide-6-carbaldehyde;yttrium (PubChem CID 160876405) has the molecular formula C10H9O2Y- and a molecular weight of 250.09 g/mol. Its IUPAC name is 7-methyl-3,4-dihydro-2H-1-benzofuran-4-ide-6-carbaldehyde;yttrium.

Molecular Properties

Compound Name7-methyl-3,4-dihydro-2H-1-benzofuran-4-ide-6-carbaldehyde;yttrium
PubChem CID160876405
Molecular FormulaC10H9O2Y-
Molecular Weight250.09 g/mol
Exact Mass249.97
IUPAC Name7-methyl-3,4-dihydro-2H-1-benzofuran-4-ide-6-carbaldehyde;yttrium
SMILESCc1c(C=O)c[c-]c2c1OCC2.[Y]
InChIInChI=1S/C10H9O2.Y/c1-7-9(6-11)3-2-8-4-5-12-10(7)8;/h3,6H,4-5H2,1H3;/q-1;
InChIKeyQPQCGALEPUQLDI-UHFFFAOYSA-N
XLogP1.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4-dihydro-2H-1-benzofuran-4-ide-6-carbaldehyde;yttrium?
The IUPAC name of 7-methyl-3,4-dihydro-2H-1-benzofuran-4-ide-6-carbaldehyde;yttrium (CID 160876405) is 7-methyl-3,4-dihydro-2H-1-benzofuran-4-ide-6-carbaldehyde;yttrium.
What is the SMILES notation for 7-methyl-3,4-dihydro-2H-1-benzofuran-4-ide-6-carbaldehyde;yttrium?
The canonical SMILES for 7-methyl-3,4-dihydro-2H-1-benzofuran-4-ide-6-carbaldehyde;yttrium is Cc1c(C=O)c[c-]c2c1OCC2.[Y].
What is the InChIKey of 7-methyl-3,4-dihydro-2H-1-benzofuran-4-ide-6-carbaldehyde;yttrium?
The InChIKey is QPQCGALEPUQLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9O2.Y/c1-7-9(6-11)3-2-8-4-5-12-10(7)8;/h3,6H,4-5H2,1H3;/q-1;.
What are the key properties of 7-methyl-3,4-dihydro-2H-1-benzofuran-4-ide-6-carbaldehyde;yttrium?
7-methyl-3,4-dihydro-2H-1-benzofuran-4-ide-6-carbaldehyde;yttrium has a molecular weight of 250.09 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4-dihydro-2H-1-benzofuran-4-ide-6-carbaldehyde;yttrium is sourced from PubChem (CID 160876405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).