2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol

C18H21NO2 — CID 135657449

IUPAC2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol
SMILESCCOc1cccc(/C=N/c2ccc(C(C)C)cc2)c1O
InChIInChI=1S/C18H21NO2/c1-4-21-17-7-5-6-15(18(17)20)12-19-16-10-8-14(9-11-16)13(2)3/h5-13,20H,4H2,1-3H3/b19-12+
InChIKeyZQUXXOSVOFZRJE-XDHOZWIPSA-N
MW283.37 g/mol
LogP4.66
Rot. Bonds5

About 2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol

2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol (PubChem CID 135657449) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol
PubChem CID135657449
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol
SMILESCCOc1cccc(/C=N/c2ccc(C(C)C)cc2)c1O
InChIInChI=1S/C18H21NO2/c1-4-21-17-7-5-6-15(18(17)20)12-19-16-10-8-14(9-11-16)13(2)3/h5-13,20H,4H2,1-3H3/b19-12+
InChIKeyZQUXXOSVOFZRJE-XDHOZWIPSA-N
XLogP4.66
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
2-ethoxy-6-[(4-iodophenyl)iminomethyl]phenol
CID 135595177
2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol
CID 135774329
2-ethoxy-6-[1-(4-fluorophenyl)ethyliminomethyl]phenol
CID 135657510
2-ethoxy-6-(pyridin-3-yliminomethyl)phenol
CID 135840457
2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657455
2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-ethoxyphenol
CID 135595869
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol
CID 135515677
2-ethoxy-6-[(2-iodophenyl)iminomethyl]phenol
CID 135595102
2-[(2-chloro-5-fluorophenyl)iminomethyl]-6-ethoxyphenol
CID 135657485
2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol
CID 139177834

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol?
The IUPAC name of 2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol (CID 135657449) is 2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol?
The canonical SMILES for 2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol is CCOc1cccc(/C=N/c2ccc(C(C)C)cc2)c1O.
What is the InChIKey of 2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol?
The InChIKey is ZQUXXOSVOFZRJE-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-21-17-7-5-6-15(18(17)20)12-19-16-10-8-14(9-11-16)13(2)3/h5-13,20H,4H2,1-3H3/b19-12+.
What are the key properties of 2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol?
2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol has a molecular weight of 283.37 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol is sourced from PubChem (CID 135657449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).