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

C19H21NO2 — CID 137162256

IUPAC2-ethoxy-4-[(2-methylphenyl)iminomethyl]-6-prop-2-enylphenol
SMILESC=CCc1cc(/C=N/c2ccccc2C)cc(OCC)c1O
InChIInChI=1S/C19H21NO2/c1-4-8-16-11-15(12-18(19(16)21)22-5-2)13-20-17-10-7-6-9-14(17)3/h4,6-7,9-13,21H,1,5,8H2,2-3H3/b20-13+
InChIKeyNEIZJHCKNAYQKY-DEDYPNTBSA-N
MW295.38 g/mol
LogP4.58
Rot. Bonds6

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

2-ethoxy-4-[(2-methylphenyl)iminomethyl]-6-prop-2-enylphenol (PubChem CID 137162256) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-ethoxy-4-[(2-methylphenyl)iminomethyl]-6-prop-2-enylphenol.

Molecular Properties

Compound Name2-ethoxy-4-[(2-methylphenyl)iminomethyl]-6-prop-2-enylphenol
PubChem CID137162256
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-ethoxy-4-[(2-methylphenyl)iminomethyl]-6-prop-2-enylphenol
SMILESC=CCc1cc(/C=N/c2ccccc2C)cc(OCC)c1O
InChIInChI=1S/C19H21NO2/c1-4-8-16-11-15(12-18(19(16)21)22-5-2)13-20-17-10-7-6-9-14(17)3/h4,6-7,9-13,21H,1,5,8H2,2-3H3/b20-13+
InChIKeyNEIZJHCKNAYQKY-DEDYPNTBSA-N
XLogP4.58
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-[(2-bromophenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol
CID 137173615
2-ethoxy-4-[(2-iodophenyl)iminomethyl]-6-prop-2-enylphenol
CID 137162393
2-ethoxy-4-[(4-methyl-2-nitrophenyl)iminomethyl]-6-prop-2-enylphenol
CID 137173804
2-ethoxy-4-[(3-methoxyphenyl)iminomethyl]-6-prop-2-enylphenol
CID 137101758
1-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 3885276
N-[4-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]phenyl]acetamide
CID 137173872
4-[(4-cyclohexylphenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol
CID 137101752
N'-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-N-(2-fluorophenyl)butanediamide
CID 4675458
2-ethoxy-4-[[4-(4-nitrophenyl)sulfanylphenyl]iminomethyl]-6-prop-2-enylphenol
CID 137118455
(5Z)-2-(2,3-dimethylphenyl)imino-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137118375
N-[(E)-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 137072052
N-[(Z)-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 136744825

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(2-methylphenyl)iminomethyl]-6-prop-2-enylphenol?
The IUPAC name of 2-ethoxy-4-[(2-methylphenyl)iminomethyl]-6-prop-2-enylphenol (CID 137162256) is 2-ethoxy-4-[(2-methylphenyl)iminomethyl]-6-prop-2-enylphenol.
What is the SMILES notation for 2-ethoxy-4-[(2-methylphenyl)iminomethyl]-6-prop-2-enylphenol?
The canonical SMILES for 2-ethoxy-4-[(2-methylphenyl)iminomethyl]-6-prop-2-enylphenol is C=CCc1cc(/C=N/c2ccccc2C)cc(OCC)c1O.
What is the InChIKey of 2-ethoxy-4-[(2-methylphenyl)iminomethyl]-6-prop-2-enylphenol?
The InChIKey is NEIZJHCKNAYQKY-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H21NO2/c1-4-8-16-11-15(12-18(19(16)21)22-5-2)13-20-17-10-7-6-9-14(17)3/h4,6-7,9-13,21H,1,5,8H2,2-3H3/b20-13+.
What are the key properties of 2-ethoxy-4-[(2-methylphenyl)iminomethyl]-6-prop-2-enylphenol?
2-ethoxy-4-[(2-methylphenyl)iminomethyl]-6-prop-2-enylphenol has a molecular weight of 295.38 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(2-methylphenyl)iminomethyl]-6-prop-2-enylphenol is sourced from PubChem (CID 137162256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).