3-ethyl-5-methoxy-2-(propan-2-yliminomethyl)phenol

C13H19NO2 — CID 176997876

IUPAC3-ethyl-5-methoxy-2-(propan-2-yliminomethyl)phenol
SMILESCCc1cc(OC)cc(O)c1/C=N/C(C)C
InChIInChI=1S/C13H19NO2/c1-5-10-6-11(16-4)7-13(15)12(10)8-14-9(2)3/h6-9,15H,5H2,1-4H3/b14-8+
InChIKeyCGFWIMSHHMODHG-RIYZIHGNSA-N
MW221.30 g/mol
LogP2.79
Rot. Bonds4

About 3-ethyl-5-methoxy-2-(propan-2-yliminomethyl)phenol

3-ethyl-5-methoxy-2-(propan-2-yliminomethyl)phenol (PubChem CID 176997876) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-ethyl-5-methoxy-2-(propan-2-yliminomethyl)phenol.

Molecular Properties

Compound Name3-ethyl-5-methoxy-2-(propan-2-yliminomethyl)phenol
PubChem CID176997876
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-ethyl-5-methoxy-2-(propan-2-yliminomethyl)phenol
SMILESCCc1cc(OC)cc(O)c1/C=N/C(C)C
InChIInChI=1S/C13H19NO2/c1-5-10-6-11(16-4)7-13(15)12(10)8-14-9(2)3/h6-9,15H,5H2,1-4H3/b14-8+
InChIKeyCGFWIMSHHMODHG-RIYZIHGNSA-N
XLogP2.79
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.79
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-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol
CID 136859318
2-[(1-hydroxy-3-methylpentan-2-yl)iminomethyl]-3,5-dimethoxyphenol
CID 136808100
5-methoxy-2-(2-methylpropyliminomethyl)-3-propan-2-ylphenol
CID 176998542
2-(2-hydroxyethyliminomethyl)-5-methoxy-3-propan-2-ylphenol
CID 176998472
2-hydroxy-4-methoxy-6-methylbenzaldehyde
CID 596815
2-(1-hydroxyethyl)-3-(hydroxymethyl)-5-methoxyphenol
CID 130036156
3-chloro-2-methanehydrazonoyl-5-methoxyphenol
CID 168530619
(2S)-2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylpentanoic acid
CID 135937367
2-(2-hydroxyethyliminomethyl)-5-methoxy-3-methylphenol
CID 176997824
2-(benzyliminomethyl)-5-methoxy-3-propan-2-ylphenol
CID 176997872
4-methoxy-2,6-bis(methoxymethyl)phenol
CID 138470113
1-(3-methoxyphenyl)-N-propan-2-ylmethanimine
CID 23423541

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methoxy-2-(propan-2-yliminomethyl)phenol?
The IUPAC name of 3-ethyl-5-methoxy-2-(propan-2-yliminomethyl)phenol (CID 176997876) is 3-ethyl-5-methoxy-2-(propan-2-yliminomethyl)phenol.
What is the SMILES notation for 3-ethyl-5-methoxy-2-(propan-2-yliminomethyl)phenol?
The canonical SMILES for 3-ethyl-5-methoxy-2-(propan-2-yliminomethyl)phenol is CCc1cc(OC)cc(O)c1/C=N/C(C)C.
What is the InChIKey of 3-ethyl-5-methoxy-2-(propan-2-yliminomethyl)phenol?
The InChIKey is CGFWIMSHHMODHG-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-10-6-11(16-4)7-13(15)12(10)8-14-9(2)3/h6-9,15H,5H2,1-4H3/b14-8+.
What are the key properties of 3-ethyl-5-methoxy-2-(propan-2-yliminomethyl)phenol?
3-ethyl-5-methoxy-2-(propan-2-yliminomethyl)phenol has a molecular weight of 221.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methoxy-2-(propan-2-yliminomethyl)phenol is sourced from PubChem (CID 176997876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).