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

C17H16BrNO — CID 904089

IUPAC2-[(2-bromo-4-methylphenyl)iminomethyl]-6-prop-2-enylphenol
SMILESC=CCc1cccc(/C=N/c2ccc(C)cc2Br)c1O
InChIInChI=1S/C17H16BrNO/c1-3-5-13-6-4-7-14(17(13)20)11-19-16-9-8-12(2)10-15(16)18/h3-4,6-11,20H,1,5H2,2H3/b19-11+
InChIKeyYSWWASCLSKNMKN-YBFXNURJSA-N
MW330.23 g/mol
LogP4.94
Rot. Bonds4

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

2-[(2-bromo-4-methylphenyl)iminomethyl]-6-prop-2-enylphenol (PubChem CID 904089) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-[(2-bromo-4-methylphenyl)iminomethyl]-6-prop-2-enylphenol.

Molecular Properties

Compound Name2-[(2-bromo-4-methylphenyl)iminomethyl]-6-prop-2-enylphenol
PubChem CID904089
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name2-[(2-bromo-4-methylphenyl)iminomethyl]-6-prop-2-enylphenol
SMILESC=CCc1cccc(/C=N/c2ccc(C)cc2Br)c1O
InChIInChI=1S/C17H16BrNO/c1-3-5-13-6-4-7-14(17(13)20)11-19-16-9-8-12(2)10-15(16)18/h3-4,6-11,20H,1,5H2,2H3/b19-11+
InChIKeyYSWWASCLSKNMKN-YBFXNURJSA-N
XLogP4.94
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-methylphenyl)iminomethyl]-6-prop-2-enylphenol?
The IUPAC name of 2-[(2-bromo-4-methylphenyl)iminomethyl]-6-prop-2-enylphenol (CID 904089) is 2-[(2-bromo-4-methylphenyl)iminomethyl]-6-prop-2-enylphenol.
What is the SMILES notation for 2-[(2-bromo-4-methylphenyl)iminomethyl]-6-prop-2-enylphenol?
The canonical SMILES for 2-[(2-bromo-4-methylphenyl)iminomethyl]-6-prop-2-enylphenol is C=CCc1cccc(/C=N/c2ccc(C)cc2Br)c1O.
What is the InChIKey of 2-[(2-bromo-4-methylphenyl)iminomethyl]-6-prop-2-enylphenol?
The InChIKey is YSWWASCLSKNMKN-YBFXNURJSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-3-5-13-6-4-7-14(17(13)20)11-19-16-9-8-12(2)10-15(16)18/h3-4,6-11,20H,1,5H2,2H3/b19-11+.
What are the key properties of 2-[(2-bromo-4-methylphenyl)iminomethyl]-6-prop-2-enylphenol?
2-[(2-bromo-4-methylphenyl)iminomethyl]-6-prop-2-enylphenol has a molecular weight of 330.23 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-methylphenyl)iminomethyl]-6-prop-2-enylphenol is sourced from PubChem (CID 904089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).