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)

C46H48ClO9Y5-5 — CID 160894884

About 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)

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) (PubChem CID 160894884) has the molecular formula C46H48ClO9Y5-5 and a molecular weight of 1224.86 g/mol. Its IUPAC name is 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).

Molecular Properties

• Compound Name: 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)
• PubChem CID: 160894884
• Molecular Formula: C46H48ClO9Y5-5
• Molecular Weight: 1224.86 g/mol
• Exact Mass: 1223.83
• IUPAC Name: 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)
• SMILES: CC(=O)C1Cc2c[c-]ccc2O1.CCOc1cc[c-]cc1C=O.CCOc1cc[c-]cc1CCl.CCOc1cc[c-]cc1CO.OCC1Cc2c[c-]ccc2O1.[Y].[Y].[Y].[Y].[Y]
• InChI: InChI=1S/C10H9O2.C9H10ClO.C9H9O2.C9H11O2.C9H9O2.5Y/c1-7(11)10-6-8-4-2-3-5-9(8)12-10;1-2-11-9-6-4-3-5-8(9)7-10;10-6-8-5-7-3-1-2-4-9(7)11-8;2*1-2-11-9-6-4-3-5-8(9)7-10;;;;;/h3-5,10H,6H2,1H3;4-6H,2,7H2,1H3;2-4,8,10H,5-6H2;4-6,10H,2,7H2,1H3;4-7H,2H2,1H3;;;;;/q5*-1
• InChIKey: DRVOQAPLYIZBHJ-UHFFFAOYSA-N
• XLogP: 7.85
• TPSA: 120.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1224.86
LogP ≤ 5	7.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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)?

The IUPAC name of 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) is 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).

What is the SMILES notation for 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)?

The canonical SMILES for 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) is CC(=O)C1Cc2c[c-]ccc2O1.CCOc1cc[c-]cc1C=O.CCOc1cc[c-]cc1CCl.CCOc1cc[c-]cc1CO.OCC1Cc2c[c-]ccc2O1.[Y].[Y].[Y].[Y].[Y].

What is the InChIKey of 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)?

The InChIKey is DRVOQAPLYIZBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9O2.C9H10ClO.C9H9O2.C9H11O2.C9H9O2.5Y/c1-7(11)10-6-8-4-2-3-5-9(8)12-10;1-2-11-9-6-4-3-5-8(9)7-10;10-6-8-5-7-3-1-2-4-9(7)11-8;2*1-2-11-9-6-4-3-5-8(9)7-10;;;;;/h3-5,10H,6H2,1H3;4-6H,2,7H2,1H3;2-4,8,10H,5-6H2;4-6,10H,2,7H2,1H3;4-7H,2H2,1H3;;;;;/q5*-1;;;;;.

What are the key properties of 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)?

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) has a molecular weight of 1224.86 g/mol, XLogP of 7.85, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 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) is sourced from PubChem (CID 160894884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).