(3-methylbenzene-4-id-1-yl)boronic acid;yttrium

C7H8BO2Y- — CID 59322369

IUPAC(3-methylbenzene-4-id-1-yl)boronic acid;yttrium
SMILESCc1[c-]ccc(B(O)O)c1.[Y]
InChIInChI=1S/C7H8BO2.Y/c1-6-3-2-4-7(5-6)8(9)10;/h2,4-5,9-10H,1H3;/q-1;
InChIKeyMYZXEPQNVWDOJQ-UHFFFAOYSA-N
MW223.86 g/mol
LogP-0.53
Rot. Bonds1

About (3-methylbenzene-4-id-1-yl)boronic acid;yttrium

(3-methylbenzene-4-id-1-yl)boronic acid;yttrium (PubChem CID 59322369) has the molecular formula C7H8BO2Y- and a molecular weight of 223.86 g/mol. Its IUPAC name is (3-methylbenzene-4-id-1-yl)boronic acid;yttrium.

Molecular Properties

Compound Name(3-methylbenzene-4-id-1-yl)boronic acid;yttrium
PubChem CID59322369
Molecular FormulaC7H8BO2Y-
Molecular Weight223.86 g/mol
Exact Mass223.97
IUPAC Name(3-methylbenzene-4-id-1-yl)boronic acid;yttrium
SMILESCc1[c-]ccc(B(O)O)c1.[Y]
InChIInChI=1S/C7H8BO2.Y/c1-6-3-2-4-7(5-6)8(9)10;/h2,4-5,9-10H,1H3;/q-1;
InChIKeyMYZXEPQNVWDOJQ-UHFFFAOYSA-N
XLogP-0.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.86
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methylbenzene-4-id-1-yl)boronic acid;yttrium?
The IUPAC name of (3-methylbenzene-4-id-1-yl)boronic acid;yttrium (CID 59322369) is (3-methylbenzene-4-id-1-yl)boronic acid;yttrium.
What is the SMILES notation for (3-methylbenzene-4-id-1-yl)boronic acid;yttrium?
The canonical SMILES for (3-methylbenzene-4-id-1-yl)boronic acid;yttrium is Cc1[c-]ccc(B(O)O)c1.[Y].
What is the InChIKey of (3-methylbenzene-4-id-1-yl)boronic acid;yttrium?
The InChIKey is MYZXEPQNVWDOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BO2.Y/c1-6-3-2-4-7(5-6)8(9)10;/h2,4-5,9-10H,1H3;/q-1;.
What are the key properties of (3-methylbenzene-4-id-1-yl)boronic acid;yttrium?
(3-methylbenzene-4-id-1-yl)boronic acid;yttrium has a molecular weight of 223.86 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylbenzene-4-id-1-yl)boronic acid;yttrium is sourced from PubChem (CID 59322369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).