2-(2-methoxy-6-methylbenzene-4-id-1-yl)acetaldehyde;yttrium

C10H11O2Y- — CID 58795514

IUPAC2-(2-methoxy-6-methylbenzene-4-id-1-yl)acetaldehyde;yttrium
SMILESCOc1c[c-]cc(C)c1CC=O.[Y]
InChIInChI=1S/C10H11O2.Y/c1-8-4-3-5-10(12-2)9(8)6-7-11;/h4-5,7H,6H2,1-2H3;/q-1;
InChIKeyRWLYXQYQHUXSHO-UHFFFAOYSA-N
MW252.10 g/mol
LogP1.54
Rot. Bonds3

About 2-(2-methoxy-6-methylbenzene-4-id-1-yl)acetaldehyde;yttrium

2-(2-methoxy-6-methylbenzene-4-id-1-yl)acetaldehyde;yttrium (PubChem CID 58795514) has the molecular formula C10H11O2Y- and a molecular weight of 252.10 g/mol. Its IUPAC name is 2-(2-methoxy-6-methylbenzene-4-id-1-yl)acetaldehyde;yttrium.

Molecular Properties

Compound Name2-(2-methoxy-6-methylbenzene-4-id-1-yl)acetaldehyde;yttrium
PubChem CID58795514
Molecular FormulaC10H11O2Y-
Molecular Weight252.10 g/mol
Exact Mass251.98
IUPAC Name2-(2-methoxy-6-methylbenzene-4-id-1-yl)acetaldehyde;yttrium
SMILESCOc1c[c-]cc(C)c1CC=O.[Y]
InChIInChI=1S/C10H11O2.Y/c1-8-4-3-5-10(12-2)9(8)6-7-11;/h4-5,7H,6H2,1-2H3;/q-1;
InChIKeyRWLYXQYQHUXSHO-UHFFFAOYSA-N
XLogP1.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
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 2-(2-methoxy-6-methylbenzene-4-id-1-yl)acetaldehyde;yttrium?
The IUPAC name of 2-(2-methoxy-6-methylbenzene-4-id-1-yl)acetaldehyde;yttrium (CID 58795514) is 2-(2-methoxy-6-methylbenzene-4-id-1-yl)acetaldehyde;yttrium.
What is the SMILES notation for 2-(2-methoxy-6-methylbenzene-4-id-1-yl)acetaldehyde;yttrium?
The canonical SMILES for 2-(2-methoxy-6-methylbenzene-4-id-1-yl)acetaldehyde;yttrium is COc1c[c-]cc(C)c1CC=O.[Y].
What is the InChIKey of 2-(2-methoxy-6-methylbenzene-4-id-1-yl)acetaldehyde;yttrium?
The InChIKey is RWLYXQYQHUXSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O2.Y/c1-8-4-3-5-10(12-2)9(8)6-7-11;/h4-5,7H,6H2,1-2H3;/q-1;.
What are the key properties of 2-(2-methoxy-6-methylbenzene-4-id-1-yl)acetaldehyde;yttrium?
2-(2-methoxy-6-methylbenzene-4-id-1-yl)acetaldehyde;yttrium has a molecular weight of 252.10 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-6-methylbenzene-4-id-1-yl)acetaldehyde;yttrium is sourced from PubChem (CID 58795514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).