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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Related Compounds

(E)-1-(5,6-dimethyl-2H-pyran-4-yl)-2-methyl-3-oxobut-1-en-1-olate
CID 138967151
3-Methyl-4,5-dihydrofuro[2,3-c]pyran-2-one
CID 91619356
3,4-Dimethoxybenzene-2,5-diide-1-carbaldehyde;tris(yttrium)
CID 59007037
2-Ethoxybenzene-5-ide-1-carbaldehyde;yttrium
CID 59106148
1-(2,4-Dihydro-1-benzofuran-7-yl)ethanone
CID 67621509
3,6-dihydro-2H-1-benzofuran-5-one
CID 67957934
3,4-Dimethylfuro[2,3-c]pyran-2-one
CID 69449018
4,7-Dimethylfuro[2,3-c]pyran-2-one
CID 69449019
1H-cyclopenta[e][2]benzofuran-6-carbaldehyde
CID 87087782
2-Prop-2-enoxycyclohexa-1,5-diene-1-carbaldehyde
CID 89093142
6-methoxy-2,2-dimethyl-5H-cyclohepta[b]pyran-7-carbaldehyde
CID 130437597
(2E)-2-[(2E)-2-ethylideneoxolan-3-ylidene]but-3-enal
CID 142058146

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).