3,5-dihydro-2H-1-benzofuran-5-ide-2-carbaldehyde;yttrium

C9H7O2Y- — CID 59106146

IUPAC3,5-dihydro-2H-1-benzofuran-5-ide-2-carbaldehyde;yttrium
SMILESO=CC1Cc2c[c-]ccc2O1.[Y]
InChIInChI=1S/C9H7O2.Y/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h2-4,6,8H,5H2;/q-1;
InChIKeyFZYZNJKFSWQIMS-UHFFFAOYSA-N
MW236.06 g/mol
LogP0.99
Rot. Bonds1

About 3,5-dihydro-2H-1-benzofuran-5-ide-2-carbaldehyde;yttrium

3,5-dihydro-2H-1-benzofuran-5-ide-2-carbaldehyde;yttrium (PubChem CID 59106146) has the molecular formula C9H7O2Y- and a molecular weight of 236.06 g/mol. Its IUPAC name is 3,5-dihydro-2H-1-benzofuran-5-ide-2-carbaldehyde;yttrium.

Molecular Properties

Compound Name3,5-dihydro-2H-1-benzofuran-5-ide-2-carbaldehyde;yttrium
PubChem CID59106146
Molecular FormulaC9H7O2Y-
Molecular Weight236.06 g/mol
Exact Mass235.95
IUPAC Name3,5-dihydro-2H-1-benzofuran-5-ide-2-carbaldehyde;yttrium
SMILESO=CC1Cc2c[c-]ccc2O1.[Y]
InChIInChI=1S/C9H7O2.Y/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h2-4,6,8H,5H2;/q-1;
InChIKeyFZYZNJKFSWQIMS-UHFFFAOYSA-N
XLogP0.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 50.99
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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Related Compounds

1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)ethanone;yttrium
CID 59106151
2,3,4,6-Tetrahydrochromen-6-ide-2-carbaldehyde;yttrium
CID 59118170
2H-cyclopenta[g][1]benzofuran-2-carbaldehyde
CID 140299597
2,3,4,5-Tetrahydro-1-benzofuran-2-carbaldehyde
CID 142224246
2,3-Dihydrocyclohepta[b]pyran-2-carbaldehyde
CID 175101217
3-methyl-2H-furo[2,3-c]pyran-2-carbaldehyde
CID 175464205
2,3,4,6-Tetrahydrochromen-6-ide-2-carbaldehyde;yttrium(3+)
CID 20627850
2-[(2E,4Z,5E)-4-ethylidenenona-2,5,8-trien-3-yl]oxypentanal
CID 142024411

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydro-2H-1-benzofuran-5-ide-2-carbaldehyde;yttrium?
The IUPAC name of 3,5-dihydro-2H-1-benzofuran-5-ide-2-carbaldehyde;yttrium (CID 59106146) is 3,5-dihydro-2H-1-benzofuran-5-ide-2-carbaldehyde;yttrium.
What is the SMILES notation for 3,5-dihydro-2H-1-benzofuran-5-ide-2-carbaldehyde;yttrium?
The canonical SMILES for 3,5-dihydro-2H-1-benzofuran-5-ide-2-carbaldehyde;yttrium is O=CC1Cc2c[c-]ccc2O1.[Y].
What is the InChIKey of 3,5-dihydro-2H-1-benzofuran-5-ide-2-carbaldehyde;yttrium?
The InChIKey is FZYZNJKFSWQIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7O2.Y/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h2-4,6,8H,5H2;/q-1;.
What are the key properties of 3,5-dihydro-2H-1-benzofuran-5-ide-2-carbaldehyde;yttrium?
3,5-dihydro-2H-1-benzofuran-5-ide-2-carbaldehyde;yttrium has a molecular weight of 236.06 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydro-2H-1-benzofuran-5-ide-2-carbaldehyde;yttrium is sourced from PubChem (CID 59106146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).