1-(2-hydroxyethyliminomethyl)naphthalen-2-ol

C13H13NO2 — CID 4266170

IUPAC1-(2-hydroxyethyliminomethyl)naphthalen-2-ol
SMILESOCC/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C13H13NO2/c15-8-7-14-9-12-11-4-2-1-3-10(11)5-6-13(12)16/h1-6,9,15-16H,7-8H2/b14-9+
InChIKeyPRTPQYWIXUPHAT-NTEUORMPSA-N
MW215.25 g/mol
LogP1.96
Rot. Bonds3

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

1-(2-hydroxyethyliminomethyl)naphthalen-2-ol (PubChem CID 4266170) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(2-hydroxyethyliminomethyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2-hydroxyethyliminomethyl)naphthalen-2-ol
PubChem CID4266170
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-(2-hydroxyethyliminomethyl)naphthalen-2-ol
SMILESOCC/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C13H13NO2/c15-8-7-14-9-12-11-4-2-1-3-10(11)5-6-13(12)16/h1-6,9,15-16H,7-8H2/b14-9+
InChIKeyPRTPQYWIXUPHAT-NTEUORMPSA-N
XLogP1.96
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-hydroxyethyliminomethyl)naphthalen-2-ol?
The IUPAC name of 1-(2-hydroxyethyliminomethyl)naphthalen-2-ol (CID 4266170) is 1-(2-hydroxyethyliminomethyl)naphthalen-2-ol.
What is the SMILES notation for 1-(2-hydroxyethyliminomethyl)naphthalen-2-ol?
The canonical SMILES for 1-(2-hydroxyethyliminomethyl)naphthalen-2-ol is OCC/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-(2-hydroxyethyliminomethyl)naphthalen-2-ol?
The InChIKey is PRTPQYWIXUPHAT-NTEUORMPSA-N. The full InChI is InChI=1S/C13H13NO2/c15-8-7-14-9-12-11-4-2-1-3-10(11)5-6-13(12)16/h1-6,9,15-16H,7-8H2/b14-9+.
What are the key properties of 1-(2-hydroxyethyliminomethyl)naphthalen-2-ol?
1-(2-hydroxyethyliminomethyl)naphthalen-2-ol has a molecular weight of 215.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyliminomethyl)naphthalen-2-ol is sourced from PubChem (CID 4266170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).