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

C18H18BrNO2 — CID 137173615

IUPAC4-[(2-bromophenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol
SMILESC=CCc1cc(/C=N/c2ccccc2Br)cc(OCC)c1O
InChIInChI=1S/C18H18BrNO2/c1-3-7-14-10-13(11-17(18(14)21)22-4-2)12-20-16-9-6-5-8-15(16)19/h3,5-6,8-12,21H,1,4,7H2,2H3/b20-12+
InChIKeyLZVJVDMXESFWLI-UDWIEESQSA-N
MW360.25 g/mol
LogP5.03
Rot. Bonds6

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

4-[(2-bromophenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol (PubChem CID 137173615) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is 4-[(2-bromophenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol.

Molecular Properties

Compound Name4-[(2-bromophenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol
PubChem CID137173615
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC Name4-[(2-bromophenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol
SMILESC=CCc1cc(/C=N/c2ccccc2Br)cc(OCC)c1O
InChIInChI=1S/C18H18BrNO2/c1-3-7-14-10-13(11-17(18(14)21)22-4-2)12-20-16-9-6-5-8-15(16)19/h3,5-6,8-12,21H,1,4,7H2,2H3/b20-12+
InChIKeyLZVJVDMXESFWLI-UDWIEESQSA-N
XLogP5.03
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.25
LogP ≤ 55.03
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

2-ethoxy-4-[(2-methylphenyl)iminomethyl]-6-prop-2-enylphenol
CID 137162256
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
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
2-ethoxy-4-[[4-(4-nitrophenyl)sulfanylphenyl]iminomethyl]-6-prop-2-enylphenol
CID 137118455
N'-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-N-(2-fluorophenyl)butanediamide
CID 4675458
1-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 3885276
N-[(E)-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 137072052
3-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3652585
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 4-[(2-bromophenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol?
The IUPAC name of 4-[(2-bromophenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol (CID 137173615) is 4-[(2-bromophenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol.
What is the SMILES notation for 4-[(2-bromophenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol?
The canonical SMILES for 4-[(2-bromophenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol is C=CCc1cc(/C=N/c2ccccc2Br)cc(OCC)c1O.
What is the InChIKey of 4-[(2-bromophenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol?
The InChIKey is LZVJVDMXESFWLI-UDWIEESQSA-N. The full InChI is InChI=1S/C18H18BrNO2/c1-3-7-14-10-13(11-17(18(14)21)22-4-2)12-20-16-9-6-5-8-15(16)19/h3,5-6,8-12,21H,1,4,7H2,2H3/b20-12+.
What are the key properties of 4-[(2-bromophenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol?
4-[(2-bromophenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol has a molecular weight of 360.25 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol is sourced from PubChem (CID 137173615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).