3-methylbenzene-6-ide-1-carbaldehyde;yttrium(3+)

C8H7OY+2 — CID 20785774

IUPAC3-methylbenzene-6-ide-1-carbaldehyde;yttrium(3+)
SMILESCc1cc[c-]c(C=O)c1.[Y+3]
InChIInChI=1S/C8H7O.Y/c1-7-3-2-4-8(5-7)6-9;/h2-3,5-6H,1H3;/q-1;+3
InChIKeyNHBAFZNBOTZQOZ-UHFFFAOYSA-N
MW208.05 g/mol
LogP1.61
Rot. Bonds1

About 3-methylbenzene-6-ide-1-carbaldehyde;yttrium(3+)

3-methylbenzene-6-ide-1-carbaldehyde;yttrium(3+) (PubChem CID 20785774) has the molecular formula C8H7OY+2 and a molecular weight of 208.05 g/mol. Its IUPAC name is 3-methylbenzene-6-ide-1-carbaldehyde;yttrium(3+).

Molecular Properties

Compound Name3-methylbenzene-6-ide-1-carbaldehyde;yttrium(3+)
PubChem CID20785774
Molecular FormulaC8H7OY+2
Molecular Weight208.05 g/mol
Exact Mass207.95
IUPAC Name3-methylbenzene-6-ide-1-carbaldehyde;yttrium(3+)
SMILESCc1cc[c-]c(C=O)c1.[Y+3]
InChIInChI=1S/C8H7O.Y/c1-7-3-2-4-8(5-7)6-9;/h2-3,5-6H,1H3;/q-1;+3
InChIKeyNHBAFZNBOTZQOZ-UHFFFAOYSA-N
XLogP1.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.05
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methylbenzene-6-ide-1-carbaldehyde;yttrium(3+) with MolForge

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

Launch Full Analysis

Related Compounds

carbanide;4-methylbenzene-6-ide-1-carbaldehyde;tungsten(2+)
CID 59723801
methylbenzene;yttrium(3+)
CID 22952606
dichlororuthenium(2+);bis(1-methyl-3-propan-2-ylbenzene-4-ide)
CID 154130262
N-(3-methylbenzene-6-id-1-yl)acetamide;yttrium
CID 162682660
2,5-dimethylbenzaldehyde;ethane
CID 142106726
2-iodyl-4-methylbenzaldehyde
CID 172555476
6-methylnaphthalene-2-carbaldehyde
CID 6452268
CID 143927164
CID 143927164
4-[2,7-dimethyl-10-(4-methylphenyl)phenanthren-9-yl]benzaldehyde
CID 58544493
formic acid;1,3-xylene;hydrochloride
CID 143757587
4-(5-methyl-1,3-dioxoisoindol-2-yl)benzaldehyde
CID 106913647
2-ethyl-4-methylbenzaldehyde
CID 58929233

Frequently Asked Questions

What is the IUPAC name of 3-methylbenzene-6-ide-1-carbaldehyde;yttrium(3+)?
The IUPAC name of 3-methylbenzene-6-ide-1-carbaldehyde;yttrium(3+) (CID 20785774) is 3-methylbenzene-6-ide-1-carbaldehyde;yttrium(3+).
What is the SMILES notation for 3-methylbenzene-6-ide-1-carbaldehyde;yttrium(3+)?
The canonical SMILES for 3-methylbenzene-6-ide-1-carbaldehyde;yttrium(3+) is Cc1cc[c-]c(C=O)c1.[Y+3].
What is the InChIKey of 3-methylbenzene-6-ide-1-carbaldehyde;yttrium(3+)?
The InChIKey is NHBAFZNBOTZQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7O.Y/c1-7-3-2-4-8(5-7)6-9;/h2-3,5-6H,1H3;/q-1;+3.
What are the key properties of 3-methylbenzene-6-ide-1-carbaldehyde;yttrium(3+)?
3-methylbenzene-6-ide-1-carbaldehyde;yttrium(3+) has a molecular weight of 208.05 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbenzene-6-ide-1-carbaldehyde;yttrium(3+) is sourced from PubChem (CID 20785774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).