2-(4-methylbenzene-5-id-1-yl)oxybenzaldehyde;yttrium

C14H11O2Y- — CID 59047780

IUPAC2-(4-methylbenzene-5-id-1-yl)oxybenzaldehyde;yttrium
SMILESCc1[c-]cc(Oc2ccccc2C=O)cc1.[Y]
InChIInChI=1S/C14H11O2.Y/c1-11-6-8-13(9-7-11)16-14-5-3-2-4-12(14)10-15;/h2-6,8-10H,1H3;/q-1;
InChIKeyFQKLMBYUHBGBOK-UHFFFAOYSA-N
MW300.15 g/mol
LogP3.40
Rot. Bonds3

About 2-(4-methylbenzene-5-id-1-yl)oxybenzaldehyde;yttrium

2-(4-methylbenzene-5-id-1-yl)oxybenzaldehyde;yttrium (PubChem CID 59047780) has the molecular formula C14H11O2Y- and a molecular weight of 300.15 g/mol. Its IUPAC name is 2-(4-methylbenzene-5-id-1-yl)oxybenzaldehyde;yttrium.

Molecular Properties

Compound Name2-(4-methylbenzene-5-id-1-yl)oxybenzaldehyde;yttrium
PubChem CID59047780
Molecular FormulaC14H11O2Y-
Molecular Weight300.15 g/mol
Exact Mass299.98
IUPAC Name2-(4-methylbenzene-5-id-1-yl)oxybenzaldehyde;yttrium
SMILESCc1[c-]cc(Oc2ccccc2C=O)cc1.[Y]
InChIInChI=1S/C14H11O2.Y/c1-11-6-8-13(9-7-11)16-14-5-3-2-4-12(14)10-15;/h2-6,8-10H,1H3;/q-1;
InChIKeyFQKLMBYUHBGBOK-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 53.40
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-(4-methylbenzene-5-id-1-yl)oxybenzaldehyde;yttrium?
The IUPAC name of 2-(4-methylbenzene-5-id-1-yl)oxybenzaldehyde;yttrium (CID 59047780) is 2-(4-methylbenzene-5-id-1-yl)oxybenzaldehyde;yttrium.
What is the SMILES notation for 2-(4-methylbenzene-5-id-1-yl)oxybenzaldehyde;yttrium?
The canonical SMILES for 2-(4-methylbenzene-5-id-1-yl)oxybenzaldehyde;yttrium is Cc1[c-]cc(Oc2ccccc2C=O)cc1.[Y].
What is the InChIKey of 2-(4-methylbenzene-5-id-1-yl)oxybenzaldehyde;yttrium?
The InChIKey is FQKLMBYUHBGBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11O2.Y/c1-11-6-8-13(9-7-11)16-14-5-3-2-4-12(14)10-15;/h2-6,8-10H,1H3;/q-1;.
What are the key properties of 2-(4-methylbenzene-5-id-1-yl)oxybenzaldehyde;yttrium?
2-(4-methylbenzene-5-id-1-yl)oxybenzaldehyde;yttrium has a molecular weight of 300.15 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylbenzene-5-id-1-yl)oxybenzaldehyde;yttrium is sourced from PubChem (CID 59047780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).