carbanide;hafnium;phenol

C19H21HfO3- — CID 19956495

IUPACcarbanide;hafnium;phenol
SMILESOc1ccccc1.Oc1ccccc1.Oc1ccccc1.[CH3-].[Hf]
InChIInChI=1S/3C6H6O.CH3.Hf/c3*7-6-4-2-1-3-5-6;;/h3*1-5,7H;1H3;/q;;;-1;
InChIKeyFLSLECGLTOJCEB-UHFFFAOYSA-N
MW475.86 g/mol
LogP4.62
Rot. Bonds

About carbanide;hafnium;phenol

carbanide;hafnium;phenol (PubChem CID 19956495) has the molecular formula C19H21HfO3- and a molecular weight of 475.86 g/mol. Its IUPAC name is carbanide;hafnium;phenol.

Molecular Properties

Compound Namecarbanide;hafnium;phenol
PubChem CID19956495
Molecular FormulaC19H21HfO3-
Molecular Weight475.86 g/mol
Exact Mass477.10
IUPAC Namecarbanide;hafnium;phenol
SMILESOc1ccccc1.Oc1ccccc1.Oc1ccccc1.[CH3-].[Hf]
InChIInChI=1S/3C6H6O.CH3.Hf/c3*7-6-4-2-1-3-5-6;;/h3*1-5,7H;1H3;/q;;;-1;
InChIKeyFLSLECGLTOJCEB-UHFFFAOYSA-N
XLogP4.62
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.86
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbanide;phenol;zirconium(2+)
CID 19956490
CID 67496590
CID 67496590
molybdenum;phenol
CID 154246724
argon;phenol
CID 159678450
phenol;phosphane
CID 159689182
phenol;tantalum
CID 19915613
neodymium;phenol
CID 154361260
phenol;titanium(2+)
CID 23042599
aluminum phenol
CID 19023057
CID 159904044
CID 159904044
CID 161001247
CID 161001247
phenol;chloride
CID 23313261

Frequently Asked Questions

What is the IUPAC name of carbanide;hafnium;phenol?
The IUPAC name of carbanide;hafnium;phenol (CID 19956495) is carbanide;hafnium;phenol.
What is the SMILES notation for carbanide;hafnium;phenol?
The canonical SMILES for carbanide;hafnium;phenol is Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.[CH3-].[Hf].
What is the InChIKey of carbanide;hafnium;phenol?
The InChIKey is FLSLECGLTOJCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H6O.CH3.Hf/c3*7-6-4-2-1-3-5-6;;/h3*1-5,7H;1H3;/q;;;-1;.
What are the key properties of carbanide;hafnium;phenol?
carbanide;hafnium;phenol has a molecular weight of 475.86 g/mol, XLogP of 4.62, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;hafnium;phenol is sourced from PubChem (CID 19956495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).