4-[(3,5-dimethylphenyl)iminomethyl]-2-ethoxyphenol

C17H19NO2 — CID 135722054

IUPAC4-[(3,5-dimethylphenyl)iminomethyl]-2-ethoxyphenol
SMILESCCOc1cc(/C=N/c2cc(C)cc(C)c2)ccc1O
InChIInChI=1S/C17H19NO2/c1-4-20-17-10-14(5-6-16(17)19)11-18-15-8-12(2)7-13(3)9-15/h5-11,19H,4H2,1-3H3/b18-11+
InChIKeyPDBGJEVAWJNAFH-WOJGMQOQSA-N
MW269.34 g/mol
LogP4.16
Rot. Bonds4

About 4-[(3,5-dimethylphenyl)iminomethyl]-2-ethoxyphenol

4-[(3,5-dimethylphenyl)iminomethyl]-2-ethoxyphenol (PubChem CID 135722054) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenyl)iminomethyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[(3,5-dimethylphenyl)iminomethyl]-2-ethoxyphenol
PubChem CID135722054
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-[(3,5-dimethylphenyl)iminomethyl]-2-ethoxyphenol
SMILESCCOc1cc(/C=N/c2cc(C)cc(C)c2)ccc1O
InChIInChI=1S/C17H19NO2/c1-4-20-17-10-14(5-6-16(17)19)11-18-15-8-12(2)7-13(3)9-15/h5-11,19H,4H2,1-3H3/b18-11+
InChIKeyPDBGJEVAWJNAFH-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

2-ethoxy-4-[(4-ethylphenyl)iminomethyl]phenol
CID 135745745
2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol
CID 135832909
4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide
CID 135822912
2-ethoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 135812320
4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 136928188
2-ethoxy-4-[(E)-[2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]iminomethyl]phenol
CID 135505246
N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
CID 135884833
[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea
CID 135555015
2-ethoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3384370
4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135620435
4-(2,2-dichloroethenyl)-2-ethoxyphenol
CID 87569986
3-ethoxy-4-hydroxybenzaldehyde;formic acid
CID 175904717

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenyl)iminomethyl]-2-ethoxyphenol?
The IUPAC name of 4-[(3,5-dimethylphenyl)iminomethyl]-2-ethoxyphenol (CID 135722054) is 4-[(3,5-dimethylphenyl)iminomethyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[(3,5-dimethylphenyl)iminomethyl]-2-ethoxyphenol?
The canonical SMILES for 4-[(3,5-dimethylphenyl)iminomethyl]-2-ethoxyphenol is CCOc1cc(/C=N/c2cc(C)cc(C)c2)ccc1O.
What is the InChIKey of 4-[(3,5-dimethylphenyl)iminomethyl]-2-ethoxyphenol?
The InChIKey is PDBGJEVAWJNAFH-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H19NO2/c1-4-20-17-10-14(5-6-16(17)19)11-18-15-8-12(2)7-13(3)9-15/h5-11,19H,4H2,1-3H3/b18-11+.
What are the key properties of 4-[(3,5-dimethylphenyl)iminomethyl]-2-ethoxyphenol?
4-[(3,5-dimethylphenyl)iminomethyl]-2-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 4-[(3,5-dimethylphenyl)iminomethyl]-2-ethoxyphenol is sourced from PubChem (CID 135722054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).