2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol

C17H19NO2 — CID 135657455

IUPAC2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
SMILESCCOc1cccc(/C=N/c2c(C)cccc2C)c1O
InChIInChI=1S/C17H19NO2/c1-4-20-15-10-6-9-14(17(15)19)11-18-16-12(2)7-5-8-13(16)3/h5-11,19H,4H2,1-3H3/b18-11+
InChIKeyNELAVADRNZSKKI-WOJGMQOQSA-N
MW269.34 g/mol
LogP4.16
Rot. Bonds4

About 2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol

2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol (PubChem CID 135657455) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
PubChem CID135657455
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
SMILESCCOc1cccc(/C=N/c2c(C)cccc2C)c1O
InChIInChI=1S/C17H19NO2/c1-4-20-15-10-6-9-14(17(15)19)11-18-16-12(2)7-5-8-13(16)3/h5-11,19H,4H2,1-3H3/b18-11+
InChIKeyNELAVADRNZSKKI-WOJGMQOQSA-N
XLogP4.16
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenol
CID 3465274
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657453
2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol
CID 135515677
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
2-ethoxy-6-[(4-iodophenyl)iminomethyl]phenol
CID 135595177
2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol
CID 135774329
2-ethoxy-6-[(2-iodophenyl)iminomethyl]phenol
CID 135595102
2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 135657449
2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol
CID 139177834
2-ethoxy-6-methylphenol
CID 14911944
2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol
CID 135657460

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol?
The IUPAC name of 2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol (CID 135657455) is 2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol.
What is the SMILES notation for 2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol?
The canonical SMILES for 2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol is CCOc1cccc(/C=N/c2c(C)cccc2C)c1O.
What is the InChIKey of 2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol?
The InChIKey is NELAVADRNZSKKI-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H19NO2/c1-4-20-15-10-6-9-14(17(15)19)11-18-16-12(2)7-5-8-13(16)3/h5-11,19H,4H2,1-3H3/b18-11+.
What are the key properties of 2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol?
2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol has a molecular weight of 269.34 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol is sourced from PubChem (CID 135657455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).