bis(2-aminobenzene-4-id-1-ol);lanthanum

C12H12LaN2O2-2 — CID 151310763

IUPACbis(2-aminobenzene-4-id-1-ol);lanthanum
SMILESNc1c[c-]ccc1O.Nc1c[c-]ccc1O.[La]
InChIInChI=1S/2C6H6NO.La/c2*7-5-3-1-2-4-6(5)8;/h2*2-4,8H,7H2;/q2*-1;
InChIKeyCBLFQYBIPOPONH-UHFFFAOYSA-N
MW355.15 g/mol
LogP1.55
Rot. Bonds

About bis(2-aminobenzene-4-id-1-ol);lanthanum

bis(2-aminobenzene-4-id-1-ol);lanthanum (PubChem CID 151310763) has the molecular formula C12H12LaN2O2-2 and a molecular weight of 355.15 g/mol. Its IUPAC name is bis(2-aminobenzene-4-id-1-ol);lanthanum.

Molecular Properties

Compound Namebis(2-aminobenzene-4-id-1-ol);lanthanum
PubChem CID151310763
Molecular FormulaC12H12LaN2O2-2
Molecular Weight355.15 g/mol
Exact Mass355.00
IUPAC Namebis(2-aminobenzene-4-id-1-ol);lanthanum
SMILESNc1c[c-]ccc1O.Nc1c[c-]ccc1O.[La]
InChIInChI=1S/2C6H6NO.La/c2*7-5-3-1-2-4-6(5)8;/h2*2-4,8H,7H2;/q2*-1;
InChIKeyCBLFQYBIPOPONH-UHFFFAOYSA-N
XLogP1.55
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.15
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-aminobenzene-4-id-1-ol);lanthanum?
The IUPAC name of bis(2-aminobenzene-4-id-1-ol);lanthanum (CID 151310763) is bis(2-aminobenzene-4-id-1-ol);lanthanum.
What is the SMILES notation for bis(2-aminobenzene-4-id-1-ol);lanthanum?
The canonical SMILES for bis(2-aminobenzene-4-id-1-ol);lanthanum is Nc1c[c-]ccc1O.Nc1c[c-]ccc1O.[La].
What is the InChIKey of bis(2-aminobenzene-4-id-1-ol);lanthanum?
The InChIKey is CBLFQYBIPOPONH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6NO.La/c2*7-5-3-1-2-4-6(5)8;/h2*2-4,8H,7H2;/q2*-1;.
What are the key properties of bis(2-aminobenzene-4-id-1-ol);lanthanum?
bis(2-aminobenzene-4-id-1-ol);lanthanum has a molecular weight of 355.15 g/mol, XLogP of 1.55, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminobenzene-4-id-1-ol);lanthanum is sourced from PubChem (CID 151310763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).