2-ethoxy-4-[(3-methoxyphenyl)iminomethyl]-6-prop-2-enylphenol

C19H21NO3 — CID 137101758

IUPAC2-ethoxy-4-[(3-methoxyphenyl)iminomethyl]-6-prop-2-enylphenol
SMILESC=CCc1cc(/C=N/c2cccc(OC)c2)cc(OCC)c1O
InChIInChI=1S/C19H21NO3/c1-4-7-15-10-14(11-18(19(15)21)23-5-2)13-20-16-8-6-9-17(12-16)22-3/h4,6,8-13,21H,1,5,7H2,2-3H3/b20-13+
InChIKeyURAZCMHTYKAWDF-DEDYPNTBSA-N
MW311.38 g/mol
LogP4.28
Rot. Bonds7

About 2-ethoxy-4-[(3-methoxyphenyl)iminomethyl]-6-prop-2-enylphenol

2-ethoxy-4-[(3-methoxyphenyl)iminomethyl]-6-prop-2-enylphenol (PubChem CID 137101758) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-ethoxy-4-[(3-methoxyphenyl)iminomethyl]-6-prop-2-enylphenol.

Molecular Properties

Compound Name2-ethoxy-4-[(3-methoxyphenyl)iminomethyl]-6-prop-2-enylphenol
PubChem CID137101758
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-ethoxy-4-[(3-methoxyphenyl)iminomethyl]-6-prop-2-enylphenol
SMILESC=CCc1cc(/C=N/c2cccc(OC)c2)cc(OCC)c1O
InChIInChI=1S/C19H21NO3/c1-4-7-15-10-14(11-18(19(15)21)23-5-2)13-20-16-8-6-9-17(12-16)22-3/h4,6,8-13,21H,1,5,7H2,2-3H3/b20-13+
InChIKeyURAZCMHTYKAWDF-DEDYPNTBSA-N
XLogP4.28
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-[(2-methylphenyl)iminomethyl]-6-prop-2-enylphenol
CID 137162256
N-[4-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]phenyl]acetamide
CID 137173872
4-[(2-bromophenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol
CID 137173615
2-ethoxy-4-[(2-iodophenyl)iminomethyl]-6-prop-2-enylphenol
CID 137162393
4-[(4-cyclohexylphenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol
CID 137101752
2-ethoxy-4-[[4-(4-nitrophenyl)sulfanylphenyl]iminomethyl]-6-prop-2-enylphenol
CID 137118455
N-[(Z)-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 136744825
2-ethoxy-4-[(4-methyl-2-nitrophenyl)iminomethyl]-6-prop-2-enylphenol
CID 137173804
(5E)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135708622
N'-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 3994693
1-(3-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 126205496
N-(4-ethoxyphenyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]propanediamide
CID 135607551

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(3-methoxyphenyl)iminomethyl]-6-prop-2-enylphenol?
The IUPAC name of 2-ethoxy-4-[(3-methoxyphenyl)iminomethyl]-6-prop-2-enylphenol (CID 137101758) is 2-ethoxy-4-[(3-methoxyphenyl)iminomethyl]-6-prop-2-enylphenol.
What is the SMILES notation for 2-ethoxy-4-[(3-methoxyphenyl)iminomethyl]-6-prop-2-enylphenol?
The canonical SMILES for 2-ethoxy-4-[(3-methoxyphenyl)iminomethyl]-6-prop-2-enylphenol is C=CCc1cc(/C=N/c2cccc(OC)c2)cc(OCC)c1O.
What is the InChIKey of 2-ethoxy-4-[(3-methoxyphenyl)iminomethyl]-6-prop-2-enylphenol?
The InChIKey is URAZCMHTYKAWDF-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H21NO3/c1-4-7-15-10-14(11-18(19(15)21)23-5-2)13-20-16-8-6-9-17(12-16)22-3/h4,6,8-13,21H,1,5,7H2,2-3H3/b20-13+.
What are the key properties of 2-ethoxy-4-[(3-methoxyphenyl)iminomethyl]-6-prop-2-enylphenol?
2-ethoxy-4-[(3-methoxyphenyl)iminomethyl]-6-prop-2-enylphenol has a molecular weight of 311.38 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(3-methoxyphenyl)iminomethyl]-6-prop-2-enylphenol is sourced from PubChem (CID 137101758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).