2-ethoxy-4-[(4-methyl-2-nitrophenyl)iminomethyl]-6-prop-2-enylphenol

C19H20N2O4 — CID 137173804

IUPAC2-ethoxy-4-[(4-methyl-2-nitrophenyl)iminomethyl]-6-prop-2-enylphenol
SMILESC=CCc1cc(/C=N/c2ccc(C)cc2[N+](=O)[O-])cc(OCC)c1O
InChIInChI=1S/C19H20N2O4/c1-4-6-15-10-14(11-18(19(15)22)25-5-2)12-20-16-8-7-13(3)9-17(16)21(23)24/h4,7-12,22H,1,5-6H2,2-3H3/b20-12+
InChIKeyFQAUPTORWIUGGX-UDWIEESQSA-N
MW340.38 g/mol
LogP4.49
Rot. Bonds7

About 2-ethoxy-4-[(4-methyl-2-nitrophenyl)iminomethyl]-6-prop-2-enylphenol

2-ethoxy-4-[(4-methyl-2-nitrophenyl)iminomethyl]-6-prop-2-enylphenol (PubChem CID 137173804) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-ethoxy-4-[(4-methyl-2-nitrophenyl)iminomethyl]-6-prop-2-enylphenol.

Molecular Properties

Compound Name2-ethoxy-4-[(4-methyl-2-nitrophenyl)iminomethyl]-6-prop-2-enylphenol
PubChem CID137173804
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-ethoxy-4-[(4-methyl-2-nitrophenyl)iminomethyl]-6-prop-2-enylphenol
SMILESC=CCc1cc(/C=N/c2ccc(C)cc2[N+](=O)[O-])cc(OCC)c1O
InChIInChI=1S/C19H20N2O4/c1-4-6-15-10-14(11-18(19(15)22)25-5-2)12-20-16-8-7-13(3)9-17(16)21(23)24/h4,7-12,22H,1,5-6H2,2-3H3/b20-12+
InChIKeyFQAUPTORWIUGGX-UDWIEESQSA-N
XLogP4.49
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-4-[(2-methylphenyl)iminomethyl]-6-prop-2-enylphenol
CID 137162256
2-ethoxy-4-[[4-(4-nitrophenyl)sulfanylphenyl]iminomethyl]-6-prop-2-enylphenol
CID 137118455
4-[(2-bromophenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol
CID 137173615
2-ethoxy-4-[(2-iodophenyl)iminomethyl]-6-prop-2-enylphenol
CID 137162393
N-[(E)-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 137072052
N-[4-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]phenyl]acetamide
CID 137173872
2-ethoxy-4-[(3-methoxyphenyl)iminomethyl]-6-prop-2-enylphenol
CID 137101758
2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol
CID 137059492
2-ethoxy-6-nitro-4-(phenyliminomethyl)phenol
CID 137059464
(NZ)-N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-4-methylbenzenesulfonamide
CID 136873760
4-[(4-cyclohexylphenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol
CID 137101752
2-ethoxy-4-[(Z)-hydroxyiminomethyl]-6-nitrophenol
CID 136911315

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(4-methyl-2-nitrophenyl)iminomethyl]-6-prop-2-enylphenol?
The IUPAC name of 2-ethoxy-4-[(4-methyl-2-nitrophenyl)iminomethyl]-6-prop-2-enylphenol (CID 137173804) is 2-ethoxy-4-[(4-methyl-2-nitrophenyl)iminomethyl]-6-prop-2-enylphenol.
What is the SMILES notation for 2-ethoxy-4-[(4-methyl-2-nitrophenyl)iminomethyl]-6-prop-2-enylphenol?
The canonical SMILES for 2-ethoxy-4-[(4-methyl-2-nitrophenyl)iminomethyl]-6-prop-2-enylphenol is C=CCc1cc(/C=N/c2ccc(C)cc2[N+](=O)[O-])cc(OCC)c1O.
What is the InChIKey of 2-ethoxy-4-[(4-methyl-2-nitrophenyl)iminomethyl]-6-prop-2-enylphenol?
The InChIKey is FQAUPTORWIUGGX-UDWIEESQSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-4-6-15-10-14(11-18(19(15)22)25-5-2)12-20-16-8-7-13(3)9-17(16)21(23)24/h4,7-12,22H,1,5-6H2,2-3H3/b20-12+.
What are the key properties of 2-ethoxy-4-[(4-methyl-2-nitrophenyl)iminomethyl]-6-prop-2-enylphenol?
2-ethoxy-4-[(4-methyl-2-nitrophenyl)iminomethyl]-6-prop-2-enylphenol has a molecular weight of 340.38 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(4-methyl-2-nitrophenyl)iminomethyl]-6-prop-2-enylphenol is sourced from PubChem (CID 137173804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).