2-ethoxy-6-(isoquinolin-5-yliminomethyl)phenol

C18H16N2O2 — CID 135760992

IUPAC2-ethoxy-6-(isoquinolin-5-yliminomethyl)phenol
SMILESCCOc1cccc(/C=N/c2cccc3cnccc23)c1O
InChIInChI=1S/C18H16N2O2/c1-2-22-17-8-4-6-14(18(17)21)12-20-16-7-3-5-13-11-19-10-9-15(13)16/h3-12,21H,2H2,1H3/b20-12+
InChIKeyFRRHZYYLUZHAPZ-UDWIEESQSA-N
MW292.34 g/mol
LogP4.09
Rot. Bonds4

About 2-ethoxy-6-(isoquinolin-5-yliminomethyl)phenol

2-ethoxy-6-(isoquinolin-5-yliminomethyl)phenol (PubChem CID 135760992) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-ethoxy-6-(isoquinolin-5-yliminomethyl)phenol.

Molecular Properties

Compound Name2-ethoxy-6-(isoquinolin-5-yliminomethyl)phenol
PubChem CID135760992
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-ethoxy-6-(isoquinolin-5-yliminomethyl)phenol
SMILESCCOc1cccc(/C=N/c2cccc3cnccc23)c1O
InChIInChI=1S/C18H16N2O2/c1-2-22-17-8-4-6-14(18(17)21)12-20-16-7-3-5-13-11-19-10-9-15(13)16/h3-12,21H,2H2,1H3/b20-12+
InChIKeyFRRHZYYLUZHAPZ-UDWIEESQSA-N
XLogP4.09
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-6-(pyridin-3-yliminomethyl)phenol
CID 135840457
2-ethoxy-6-[(2-iodophenyl)iminomethyl]phenol
CID 135595102
2-ethoxy-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 135657486
2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol
CID 135515677
2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol
CID 135657460
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657453
2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol
CID 135595380
2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657455
2-ethoxy-6-(5,6,7,8-tetrahydronaphthalen-1-yliminomethyl)phenol
CID 135657451
2-[(2-chloro-5-fluorophenyl)iminomethyl]-6-ethoxyphenol
CID 135657485
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(isoquinolin-5-yliminomethyl)phenol?
The IUPAC name of 2-ethoxy-6-(isoquinolin-5-yliminomethyl)phenol (CID 135760992) is 2-ethoxy-6-(isoquinolin-5-yliminomethyl)phenol.
What is the SMILES notation for 2-ethoxy-6-(isoquinolin-5-yliminomethyl)phenol?
The canonical SMILES for 2-ethoxy-6-(isoquinolin-5-yliminomethyl)phenol is CCOc1cccc(/C=N/c2cccc3cnccc23)c1O.
What is the InChIKey of 2-ethoxy-6-(isoquinolin-5-yliminomethyl)phenol?
The InChIKey is FRRHZYYLUZHAPZ-UDWIEESQSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-22-17-8-4-6-14(18(17)21)12-20-16-7-3-5-13-11-19-10-9-15(13)16/h3-12,21H,2H2,1H3/b20-12+.
What are the key properties of 2-ethoxy-6-(isoquinolin-5-yliminomethyl)phenol?
2-ethoxy-6-(isoquinolin-5-yliminomethyl)phenol has a molecular weight of 292.34 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-(isoquinolin-5-yliminomethyl)phenol is sourced from PubChem (CID 135760992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).