hafnium;methanidylbenzene;methanol

C10H19HfO3- — CID 18314898

IUPAChafnium;methanidylbenzene;methanol
SMILESCO.CO.CO.[CH2-]c1ccccc1.[Hf]
InChIInChI=1S/C7H7.3CH4O.Hf/c1-7-5-3-2-4-6-7;3*1-2;/h2-6H,1H2;3*2H,1H3;/q-1;;;;
InChIKeyQFEQCTKXDUQAPO-UHFFFAOYSA-N
MW365.75 g/mol
LogP0.69
Rot. Bonds

About hafnium;methanidylbenzene;methanol

hafnium;methanidylbenzene;methanol (PubChem CID 18314898) has the molecular formula C10H19HfO3- and a molecular weight of 365.75 g/mol. Its IUPAC name is hafnium;methanidylbenzene;methanol.

Molecular Properties

Compound Namehafnium;methanidylbenzene;methanol
PubChem CID18314898
Molecular FormulaC10H19HfO3-
Molecular Weight365.75 g/mol
Exact Mass367.08
IUPAC Namehafnium;methanidylbenzene;methanol
SMILESCO.CO.CO.[CH2-]c1ccccc1.[Hf]
InChIInChI=1S/C7H7.3CH4O.Hf/c1-7-5-3-2-4-6-7;3*1-2;/h2-6H,1H2;3*2H,1H3;/q-1;;;;
InChIKeyQFEQCTKXDUQAPO-UHFFFAOYSA-N
XLogP0.69
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.75
LogP ≤ 50.69
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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Frequently Asked Questions

What is the IUPAC name of hafnium;methanidylbenzene;methanol?
The IUPAC name of hafnium;methanidylbenzene;methanol (CID 18314898) is hafnium;methanidylbenzene;methanol.
What is the SMILES notation for hafnium;methanidylbenzene;methanol?
The canonical SMILES for hafnium;methanidylbenzene;methanol is CO.CO.CO.[CH2-]c1ccccc1.[Hf].
What is the InChIKey of hafnium;methanidylbenzene;methanol?
The InChIKey is QFEQCTKXDUQAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.3CH4O.Hf/c1-7-5-3-2-4-6-7;3*1-2;/h2-6H,1H2;3*2H,1H3;/q-1;;;;.
What are the key properties of hafnium;methanidylbenzene;methanol?
hafnium;methanidylbenzene;methanol has a molecular weight of 365.75 g/mol, XLogP of 0.69, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;methanidylbenzene;methanol is sourced from PubChem (CID 18314898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).