2-ethoxybenzene-5-ide-1-carbaldehyde;yttrium

C9H9O2Y- — CID 59106148

IUPAC2-ethoxybenzene-5-ide-1-carbaldehyde;yttrium
SMILESCCOc1cc[c-]cc1C=O.[Y]
InChIInChI=1S/C9H9O2.Y/c1-2-11-9-6-4-3-5-8(9)7-10;/h4-7H,2H2,1H3;/q-1;
InChIKeyLIRUTFLFQZTJDK-UHFFFAOYSA-N
MW238.07 g/mol
LogP1.70
Rot. Bonds3

About 2-ethoxybenzene-5-ide-1-carbaldehyde;yttrium

2-ethoxybenzene-5-ide-1-carbaldehyde;yttrium (PubChem CID 59106148) has the molecular formula C9H9O2Y- and a molecular weight of 238.07 g/mol. Its IUPAC name is 2-ethoxybenzene-5-ide-1-carbaldehyde;yttrium.

Molecular Properties

Compound Name2-ethoxybenzene-5-ide-1-carbaldehyde;yttrium
PubChem CID59106148
Molecular FormulaC9H9O2Y-
Molecular Weight238.07 g/mol
Exact Mass237.97
IUPAC Name2-ethoxybenzene-5-ide-1-carbaldehyde;yttrium
SMILESCCOc1cc[c-]cc1C=O.[Y]
InChIInChI=1S/C9H9O2.Y/c1-2-11-9-6-4-3-5-8(9)7-10;/h4-7H,2H2,1H3;/q-1;
InChIKeyLIRUTFLFQZTJDK-UHFFFAOYSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 51.70
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

2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
2-ethoxy-5-sulfanylbenzaldehyde
CID 155017600
1-(chloromethyl)-2-ethoxybenzene-5-ide;1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)ethanone;3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanol;2-ethoxybenzene-5-ide-1-carbaldehyde;(2-ethoxybenzene-5-id-1-yl)methanol;pentakis(yttrium)
CID 160894884
4-ethoxy-2,3-difluorobenzaldehyde
CID 14495625
carbanide;gold(3+);2-(2-methylpropoxy)benzene-4-ide-1-carbaldehyde
CID 175700713
2-amino-4-chloro-5-ethoxybenzaldehyde
CID 130139421
4-ethoxy-2,3-dihydroxybenzaldehyde
CID 44887021
4-ethoxy-3-formylbenzoic acid
CID 40655849
2-ethoxy-5-hydrazinylbenzaldehyde
CID 131214024
(4-ethoxy-3-formylphenyl)-methylborinic acid
CID 89271667
sodium 2-ethoxy-6-formylphenolate
CID 102504150
3-ethoxynaphthalene-2-carbaldehyde
CID 131351894

Frequently Asked Questions

What is the IUPAC name of 2-ethoxybenzene-5-ide-1-carbaldehyde;yttrium?
The IUPAC name of 2-ethoxybenzene-5-ide-1-carbaldehyde;yttrium (CID 59106148) is 2-ethoxybenzene-5-ide-1-carbaldehyde;yttrium.
What is the SMILES notation for 2-ethoxybenzene-5-ide-1-carbaldehyde;yttrium?
The canonical SMILES for 2-ethoxybenzene-5-ide-1-carbaldehyde;yttrium is CCOc1cc[c-]cc1C=O.[Y].
What is the InChIKey of 2-ethoxybenzene-5-ide-1-carbaldehyde;yttrium?
The InChIKey is LIRUTFLFQZTJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O2.Y/c1-2-11-9-6-4-3-5-8(9)7-10;/h4-7H,2H2,1H3;/q-1;.
What are the key properties of 2-ethoxybenzene-5-ide-1-carbaldehyde;yttrium?
2-ethoxybenzene-5-ide-1-carbaldehyde;yttrium has a molecular weight of 238.07 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxybenzene-5-ide-1-carbaldehyde;yttrium is sourced from PubChem (CID 59106148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).