2,4-dibromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol

C15H13Br2NO2 — CID 1355768

IUPAC2,4-dibromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol
SMILESCCc1ccc(O)c(/N=C/c2cc(Br)cc(Br)c2O)c1
InChIInChI=1S/C15H13Br2NO2/c1-2-9-3-4-14(19)13(5-9)18-8-10-6-11(16)7-12(17)15(10)20/h3-8,19-20H,2H2,1H3/b18-8+
InChIKeyUEHCPVSHXUKCBX-QGMBQPNBSA-N
MW399.08 g/mol
LogP4.94
Rot. Bonds3

About 2,4-dibromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol

2,4-dibromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol (PubChem CID 1355768) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 2,4-dibromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol
PubChem CID1355768
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name2,4-dibromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol
SMILESCCc1ccc(O)c(/N=C/c2cc(Br)cc(Br)c2O)c1
InChIInChI=1S/C15H13Br2NO2/c1-2-9-3-4-14(19)13(5-9)18-8-10-6-11(16)7-12(17)15(10)20/h3-8,19-20H,2H2,1H3/b18-8+
InChIKeyUEHCPVSHXUKCBX-QGMBQPNBSA-N
XLogP4.94
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[[5-[(3-bromophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-4-ethylphenol
CID 2848184
2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethylphenol
CID 759206
2,4-dibromo-6-(ethyliminomethyl)phenol
CID 139079595
4-bromo-2-[(3-ethylphenyl)iminomethyl]phenol
CID 135657383
ethane;4-ethyl-2-nitrosophenol
CID 177045182
ethyl 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzoate
CID 1286584
2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol
CID 135501673
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
2,4-dibromo-6-[[4-[2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenol
CID 4996119
4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol
CID 137173243
4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol
CID 135689605
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 135633918

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol (CID 1355768) is 2,4-dibromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol is CCc1ccc(O)c(/N=C/c2cc(Br)cc(Br)c2O)c1.
What is the InChIKey of 2,4-dibromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol?
The InChIKey is UEHCPVSHXUKCBX-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c1-2-9-3-4-14(19)13(5-9)18-8-10-6-11(16)7-12(17)15(10)20/h3-8,19-20H,2H2,1H3/b18-8+.
What are the key properties of 2,4-dibromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol?
2,4-dibromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol has a molecular weight of 399.08 g/mol, XLogP of 4.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol is sourced from PubChem (CID 1355768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).