2-methanimidoyl-5-methylbenzene-4-id-1-ol;hexakis(yttrium)

C8H8NOY6- — CID 160914508

IUPAC2-methanimidoyl-5-methylbenzene-4-id-1-ol;hexakis(yttrium)
SMILES[H]/N=C/c1c[c-]c(C)cc1O.[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C8H8NO.6Y/c1-6-2-3-7(5-9)8(10)4-6;;;;;;/h3-5,9-10H,1H3;;;;;;/q-1;;;;;;/b9-5+;;;;;;
InChIKeyNMBXCQRTDSMHRT-DQSDWSSWSA-N
MW667.59 g/mol
LogP1.48
Rot. Bonds1

About 2-methanimidoyl-5-methylbenzene-4-id-1-ol;hexakis(yttrium)

2-methanimidoyl-5-methylbenzene-4-id-1-ol;hexakis(yttrium) (PubChem CID 160914508) has the molecular formula C8H8NOY6- and a molecular weight of 667.59 g/mol. Its IUPAC name is 2-methanimidoyl-5-methylbenzene-4-id-1-ol;hexakis(yttrium).

Molecular Properties

Compound Name2-methanimidoyl-5-methylbenzene-4-id-1-ol;hexakis(yttrium)
PubChem CID160914508
Molecular FormulaC8H8NOY6-
Molecular Weight667.59 g/mol
Exact Mass667.50
IUPAC Name2-methanimidoyl-5-methylbenzene-4-id-1-ol;hexakis(yttrium)
SMILES[H]/N=C/c1c[c-]c(C)cc1O.[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C8H8NO.6Y/c1-6-2-3-7(5-9)8(10)4-6;;;;;;/h3-5,9-10H,1H3;;;;;;/q-1;;;;;;/b9-5+;;;;;;
InChIKeyNMBXCQRTDSMHRT-DQSDWSSWSA-N
XLogP1.48
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500667.59
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-methanimidoyl-5-methylbenzene-4-id-1-ol;hexakis(yttrium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-5-methylbenzene-4-id-1-ol;hexakis(yttrium)?
The IUPAC name of 2-methanimidoyl-5-methylbenzene-4-id-1-ol;hexakis(yttrium) (CID 160914508) is 2-methanimidoyl-5-methylbenzene-4-id-1-ol;hexakis(yttrium).
What is the SMILES notation for 2-methanimidoyl-5-methylbenzene-4-id-1-ol;hexakis(yttrium)?
The canonical SMILES for 2-methanimidoyl-5-methylbenzene-4-id-1-ol;hexakis(yttrium) is [H]/N=C/c1c[c-]c(C)cc1O.[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 2-methanimidoyl-5-methylbenzene-4-id-1-ol;hexakis(yttrium)?
The InChIKey is NMBXCQRTDSMHRT-DQSDWSSWSA-N. The full InChI is InChI=1S/C8H8NO.6Y/c1-6-2-3-7(5-9)8(10)4-6;;;;;;/h3-5,9-10H,1H3;;;;;;/q-1;;;;;;/b9-5+;;;;;;.
What are the key properties of 2-methanimidoyl-5-methylbenzene-4-id-1-ol;hexakis(yttrium)?
2-methanimidoyl-5-methylbenzene-4-id-1-ol;hexakis(yttrium) has a molecular weight of 667.59 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-5-methylbenzene-4-id-1-ol;hexakis(yttrium) is sourced from PubChem (CID 160914508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).