2-(2-hydroxyethyliminomethyl)-5-methoxy-3-methylphenol

C11H15NO3 — CID 176997824

IUPAC2-(2-hydroxyethyliminomethyl)-5-methoxy-3-methylphenol
SMILESCOc1cc(C)c(/C=N/CCO)c(O)c1
InChIInChI=1S/C11H15NO3/c1-8-5-9(15-2)6-11(14)10(8)7-12-3-4-13/h5-7,13-14H,3-4H2,1-2H3/b12-7+
InChIKeyLLBDLBMOBLOVJL-KPKJPENVSA-N
MW209.24 g/mol
LogP1.12
Rot. Bonds4

About 2-(2-hydroxyethyliminomethyl)-5-methoxy-3-methylphenol

2-(2-hydroxyethyliminomethyl)-5-methoxy-3-methylphenol (PubChem CID 176997824) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-(2-hydroxyethyliminomethyl)-5-methoxy-3-methylphenol.

Molecular Properties

Compound Name2-(2-hydroxyethyliminomethyl)-5-methoxy-3-methylphenol
PubChem CID176997824
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-(2-hydroxyethyliminomethyl)-5-methoxy-3-methylphenol
SMILESCOc1cc(C)c(/C=N/CCO)c(O)c1
InChIInChI=1S/C11H15NO3/c1-8-5-9(15-2)6-11(14)10(8)7-12-3-4-13/h5-7,13-14H,3-4H2,1-2H3/b12-7+
InChIKeyLLBDLBMOBLOVJL-KPKJPENVSA-N
XLogP1.12
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethyliminomethyl)-5-methoxy-3-propan-2-ylphenol
CID 176998472
2-hydroxy-4-methoxy-6-methylbenzaldehyde
CID 596815
2-[3-[2-[3-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]-3,5-dimethoxyphenol;iron
CID 135456094
2-[(2,6-dimethylphenyl)methylideneamino]ethanol
CID 141084157
5-methoxy-2-(2-methylpropyliminomethyl)-3-propan-2-ylphenol
CID 176998542
2-[(2-hydroxy-4-methoxy-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575165
2-[(1R,2S)-2-(2-hydroxyphenyl)-1,2-bis[(4-methoxy-2,6-dimethylphenyl)methylideneamino]ethyl]phenol
CID 70347590
2-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol
CID 136859318
2-chloro-5-methoxy-3-methylphenol
CID 144544904
2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol
CID 136618032
3-chloro-2-methanehydrazonoyl-5-methoxyphenol
CID 168530619
2-methanehydrazonoyl-4-methoxy-6-methylphenol
CID 168529679

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyliminomethyl)-5-methoxy-3-methylphenol?
The IUPAC name of 2-(2-hydroxyethyliminomethyl)-5-methoxy-3-methylphenol (CID 176997824) is 2-(2-hydroxyethyliminomethyl)-5-methoxy-3-methylphenol.
What is the SMILES notation for 2-(2-hydroxyethyliminomethyl)-5-methoxy-3-methylphenol?
The canonical SMILES for 2-(2-hydroxyethyliminomethyl)-5-methoxy-3-methylphenol is COc1cc(C)c(/C=N/CCO)c(O)c1.
What is the InChIKey of 2-(2-hydroxyethyliminomethyl)-5-methoxy-3-methylphenol?
The InChIKey is LLBDLBMOBLOVJL-KPKJPENVSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-5-9(15-2)6-11(14)10(8)7-12-3-4-13/h5-7,13-14H,3-4H2,1-2H3/b12-7+.
What are the key properties of 2-(2-hydroxyethyliminomethyl)-5-methoxy-3-methylphenol?
2-(2-hydroxyethyliminomethyl)-5-methoxy-3-methylphenol has a molecular weight of 209.24 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyliminomethyl)-5-methoxy-3-methylphenol is sourced from PubChem (CID 176997824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).