2-(2-hydroxyethyliminomethyl)-5-methoxy-3-propan-2-ylphenol

C13H19NO3 — CID 176998472

IUPAC2-(2-hydroxyethyliminomethyl)-5-methoxy-3-propan-2-ylphenol
SMILESCOc1cc(O)c(/C=N/CCO)c(C(C)C)c1
InChIInChI=1S/C13H19NO3/c1-9(2)11-6-10(17-3)7-13(16)12(11)8-14-4-5-15/h6-9,15-16H,4-5H2,1-3H3/b14-8+
InChIKeyPFZZXXYOPQJDSF-RIYZIHGNSA-N
MW237.30 g/mol
LogP1.94
Rot. Bonds5

About 2-(2-hydroxyethyliminomethyl)-5-methoxy-3-propan-2-ylphenol

2-(2-hydroxyethyliminomethyl)-5-methoxy-3-propan-2-ylphenol (PubChem CID 176998472) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2-hydroxyethyliminomethyl)-5-methoxy-3-propan-2-ylphenol.

Molecular Properties

Compound Name2-(2-hydroxyethyliminomethyl)-5-methoxy-3-propan-2-ylphenol
PubChem CID176998472
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(2-hydroxyethyliminomethyl)-5-methoxy-3-propan-2-ylphenol
SMILESCOc1cc(O)c(/C=N/CCO)c(C(C)C)c1
InChIInChI=1S/C13H19NO3/c1-9(2)11-6-10(17-3)7-13(16)12(11)8-14-4-5-15/h6-9,15-16H,4-5H2,1-3H3/b14-8+
InChIKeyPFZZXXYOPQJDSF-RIYZIHGNSA-N
XLogP1.94
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.94
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

5-methoxy-2-(2-methylpropyliminomethyl)-3-propan-2-ylphenol
CID 176998542
2-(2-hydroxyethyliminomethyl)-5-methoxy-3-methylphenol
CID 176997824
2-(benzyliminomethyl)-5-methoxy-3-propan-2-ylphenol
CID 176997872
4-methoxy-2,6-di(propan-2-yl)phenol
CID 19994197
2-[3-[2-[3-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]-3,5-dimethoxyphenol;iron
CID 135456094
2-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol
CID 136859318
3-ethyl-5-methoxy-2-(propan-2-yliminomethyl)phenol
CID 176997876
2-[(1-hydroxy-3-methylpentan-2-yl)iminomethyl]-3,5-dimethoxyphenol
CID 136808100
ethane;2-hydroxy-6-propan-2-yl-4-propan-2-yloxybenzaldehyde
CID 176998359
2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol
CID 136618032
3-chloro-2-methanehydrazonoyl-5-methoxyphenol
CID 168530619
3-butan-2-yl-5-methoxy-2-methylphenol
CID 130033811

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyliminomethyl)-5-methoxy-3-propan-2-ylphenol?
The IUPAC name of 2-(2-hydroxyethyliminomethyl)-5-methoxy-3-propan-2-ylphenol (CID 176998472) is 2-(2-hydroxyethyliminomethyl)-5-methoxy-3-propan-2-ylphenol.
What is the SMILES notation for 2-(2-hydroxyethyliminomethyl)-5-methoxy-3-propan-2-ylphenol?
The canonical SMILES for 2-(2-hydroxyethyliminomethyl)-5-methoxy-3-propan-2-ylphenol is COc1cc(O)c(/C=N/CCO)c(C(C)C)c1.
What is the InChIKey of 2-(2-hydroxyethyliminomethyl)-5-methoxy-3-propan-2-ylphenol?
The InChIKey is PFZZXXYOPQJDSF-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)11-6-10(17-3)7-13(16)12(11)8-14-4-5-15/h6-9,15-16H,4-5H2,1-3H3/b14-8+.
What are the key properties of 2-(2-hydroxyethyliminomethyl)-5-methoxy-3-propan-2-ylphenol?
2-(2-hydroxyethyliminomethyl)-5-methoxy-3-propan-2-ylphenol has a molecular weight of 237.30 g/mol, XLogP of 1.94, 5 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-propan-2-ylphenol is sourced from PubChem (CID 176998472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).