1-(naphthalen-1-yliminomethyl)naphthalen-2-ol

C21H15NO — CID 1284358

IUPAC1-(naphthalen-1-yliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1cccc2ccccc12
InChIInChI=1S/C21H15NO/c23-21-13-12-16-7-1-3-9-17(16)19(21)14-22-20-11-5-8-15-6-2-4-10-18(15)20/h1-14,23H/b22-14+
InChIKeyCFVMLACBKWKHEP-HYARGMPZSA-N
MW297.36 g/mol
LogP5.45
Rot. Bonds2

About 1-(naphthalen-1-yliminomethyl)naphthalen-2-ol

1-(naphthalen-1-yliminomethyl)naphthalen-2-ol (PubChem CID 1284358) has the molecular formula C21H15NO and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(naphthalen-1-yliminomethyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(naphthalen-1-yliminomethyl)naphthalen-2-ol
PubChem CID1284358
Molecular FormulaC21H15NO
Molecular Weight297.36 g/mol
Exact Mass297.12
IUPAC Name1-(naphthalen-1-yliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1cccc2ccccc12
InChIInChI=1S/C21H15NO/c23-21-13-12-16-7-1-3-9-17(16)19(21)14-22-20-11-5-8-15-6-2-4-10-18(15)20/h1-14,23H/b22-14+
InChIKeyCFVMLACBKWKHEP-HYARGMPZSA-N
XLogP5.45
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.36
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-yliminomethyl)naphthalen-2-ol?
The IUPAC name of 1-(naphthalen-1-yliminomethyl)naphthalen-2-ol (CID 1284358) is 1-(naphthalen-1-yliminomethyl)naphthalen-2-ol.
What is the SMILES notation for 1-(naphthalen-1-yliminomethyl)naphthalen-2-ol?
The canonical SMILES for 1-(naphthalen-1-yliminomethyl)naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/c1cccc2ccccc12.
What is the InChIKey of 1-(naphthalen-1-yliminomethyl)naphthalen-2-ol?
The InChIKey is CFVMLACBKWKHEP-HYARGMPZSA-N. The full InChI is InChI=1S/C21H15NO/c23-21-13-12-16-7-1-3-9-17(16)19(21)14-22-20-11-5-8-15-6-2-4-10-18(15)20/h1-14,23H/b22-14+.
What are the key properties of 1-(naphthalen-1-yliminomethyl)naphthalen-2-ol?
1-(naphthalen-1-yliminomethyl)naphthalen-2-ol has a molecular weight of 297.36 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-yliminomethyl)naphthalen-2-ol is sourced from PubChem (CID 1284358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).