carbanide;phenol;zirconium(2+)

C14H18O2Zr — CID 19956490

IUPACcarbanide;phenol;zirconium(2+)
SMILESOc1ccccc1.Oc1ccccc1.[CH3-].[CH3-].[Zr+2]
InChIInChI=1S/2C6H6O.2CH3.Zr/c2*7-6-4-2-1-3-5-6;;;/h2*1-5,7H;2*1H3;/q;;2*-1;+2
InChIKeyVXMLCTVKVCNGMA-UHFFFAOYSA-N
MW309.52 g/mol
LogP3.68
Rot. Bonds

About carbanide;phenol;zirconium(2+)

carbanide;phenol;zirconium(2+) (PubChem CID 19956490) has the molecular formula C14H18O2Zr and a molecular weight of 309.52 g/mol. Its IUPAC name is carbanide;phenol;zirconium(2+).

Molecular Properties

Compound Namecarbanide;phenol;zirconium(2+)
PubChem CID19956490
Molecular FormulaC14H18O2Zr
Molecular Weight309.52 g/mol
Exact Mass308.04
IUPAC Namecarbanide;phenol;zirconium(2+)
SMILESOc1ccccc1.Oc1ccccc1.[CH3-].[CH3-].[Zr+2]
InChIInChI=1S/2C6H6O.2CH3.Zr/c2*7-6-4-2-1-3-5-6;;;/h2*1-5,7H;2*1H3;/q;;2*-1;+2
InChIKeyVXMLCTVKVCNGMA-UHFFFAOYSA-N
XLogP3.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze carbanide;phenol;zirconium(2+) 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;hafnium;phenol
CID 19956495
CID 159904044
CID 159904044
aluminum phenol
CID 19023057
argon;phenol
CID 159678450
molybdenum;phenol
CID 154246724
phenol;phosphane
CID 159689182
CID 67496590
CID 67496590
phenol;tantalum
CID 19915613
neodymium;phenol
CID 154361260
phenol;titanium(2+)
CID 23042599
CID 161001247
CID 161001247
phenol;chloride
CID 23313261

Frequently Asked Questions

What is the IUPAC name of carbanide;phenol;zirconium(2+)?
The IUPAC name of carbanide;phenol;zirconium(2+) (CID 19956490) is carbanide;phenol;zirconium(2+).
What is the SMILES notation for carbanide;phenol;zirconium(2+)?
The canonical SMILES for carbanide;phenol;zirconium(2+) is Oc1ccccc1.Oc1ccccc1.[CH3-].[CH3-].[Zr+2].
What is the InChIKey of carbanide;phenol;zirconium(2+)?
The InChIKey is VXMLCTVKVCNGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6O.2CH3.Zr/c2*7-6-4-2-1-3-5-6;;;/h2*1-5,7H;2*1H3;/q;;2*-1;+2.
What are the key properties of carbanide;phenol;zirconium(2+)?
carbanide;phenol;zirconium(2+) has a molecular weight of 309.52 g/mol, XLogP of 3.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;phenol;zirconium(2+) is sourced from PubChem (CID 19956490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).