carbanide;3-methylphenol;yttrium

C8H11OY- — CID 161376652

IUPACcarbanide;3-methylphenol;yttrium
SMILESCc1cccc(O)c1.[CH3-].[Y]
InChIInChI=1S/C7H8O.CH3.Y/c1-6-3-2-4-7(8)5-6;;/h2-5,8H,1H3;1H3;/q;-1;
InChIKeyXKFKSWOUVZRFPW-UHFFFAOYSA-N
MW212.08 g/mol
LogP2.15
Rot. Bonds

About carbanide;3-methylphenol;yttrium

carbanide;3-methylphenol;yttrium (PubChem CID 161376652) has the molecular formula C8H11OY- and a molecular weight of 212.08 g/mol. Its IUPAC name is carbanide;3-methylphenol;yttrium.

Molecular Properties

Compound Namecarbanide;3-methylphenol;yttrium
PubChem CID161376652
Molecular FormulaC8H11OY-
Molecular Weight212.08 g/mol
Exact Mass211.99
IUPAC Namecarbanide;3-methylphenol;yttrium
SMILESCc1cccc(O)c1.[CH3-].[Y]
InChIInChI=1S/C7H8O.CH3.Y/c1-6-3-2-4-7(8)5-6;;/h2-5,8H,1H3;1H3;/q;-1;
InChIKeyXKFKSWOUVZRFPW-UHFFFAOYSA-N
XLogP2.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.08
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;3-methylphenol;yttrium?
The IUPAC name of carbanide;3-methylphenol;yttrium (CID 161376652) is carbanide;3-methylphenol;yttrium.
What is the SMILES notation for carbanide;3-methylphenol;yttrium?
The canonical SMILES for carbanide;3-methylphenol;yttrium is Cc1cccc(O)c1.[CH3-].[Y].
What is the InChIKey of carbanide;3-methylphenol;yttrium?
The InChIKey is XKFKSWOUVZRFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.CH3.Y/c1-6-3-2-4-7(8)5-6;;/h2-5,8H,1H3;1H3;/q;-1;.
What are the key properties of carbanide;3-methylphenol;yttrium?
carbanide;3-methylphenol;yttrium has a molecular weight of 212.08 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-methylphenol;yttrium is sourced from PubChem (CID 161376652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).