3,4-dibromo-6-ethoxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol

C16H15Br2NO3 — CID 5024698

IUPAC3,4-dibromo-6-ethoxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol
SMILESCCOc1cc(Br)c(Br)c(/C=N/c2cc(C)ccc2O)c1O
InChIInChI=1S/C16H15Br2NO3/c1-3-22-14-7-11(17)15(18)10(16(14)21)8-19-12-6-9(2)4-5-13(12)20/h4-8,20-21H,3H2,1-2H3/b19-8+
InChIKeyOADNHGRHBUIBDW-UFWORHAWSA-N
MW429.11 g/mol
LogP5.08
Rot. Bonds4

About 3,4-dibromo-6-ethoxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol

3,4-dibromo-6-ethoxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol (PubChem CID 5024698) has the molecular formula C16H15Br2NO3 and a molecular weight of 429.11 g/mol. Its IUPAC name is 3,4-dibromo-6-ethoxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name3,4-dibromo-6-ethoxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol
PubChem CID5024698
Molecular FormulaC16H15Br2NO3
Molecular Weight429.11 g/mol
Exact Mass426.94
IUPAC Name3,4-dibromo-6-ethoxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol
SMILESCCOc1cc(Br)c(Br)c(/C=N/c2cc(C)ccc2O)c1O
InChIInChI=1S/C16H15Br2NO3/c1-3-22-14-7-11(17)15(18)10(16(14)21)8-19-12-6-9(2)4-5-13(12)20/h4-8,20-21H,3H2,1-2H3/b19-8+
InChIKeyOADNHGRHBUIBDW-UFWORHAWSA-N
XLogP5.08
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.11
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3,4-dibromo-2-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-6-ethoxyphenol
CID 4630823
3,4-dibromo-2-[[2-bromo-5-(trifluoromethyl)phenyl]iminomethyl]-6-ethoxyphenol
CID 135588655
N-[(Z)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 135891670
3,4-dibromo-6-ethoxy-2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 4110397
3,4-dibromo-6-ethoxy-2-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol
CID 3097141
N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]-3-methylbenzamide
CID 3100006
3,4-dibromo-2-[(2-hydroxy-3,5-dimethylphenyl)iminomethyl]-6-methoxyphenol
CID 1379409
N-[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 139301914
N-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 4518563
3,4-dibromo-2-[(4-tert-butyl-2-hydroxyphenyl)iminomethyl]-6-methoxyphenol
CID 3984239
3,4-dibromo-6-methoxy-2-[(E)-(6-methyl-1,3-benzothiazol-2-yl)iminomethyl]phenol
CID 135411971
2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657453

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-6-ethoxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol?
The IUPAC name of 3,4-dibromo-6-ethoxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol (CID 5024698) is 3,4-dibromo-6-ethoxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol.
What is the SMILES notation for 3,4-dibromo-6-ethoxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol?
The canonical SMILES for 3,4-dibromo-6-ethoxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol is CCOc1cc(Br)c(Br)c(/C=N/c2cc(C)ccc2O)c1O.
What is the InChIKey of 3,4-dibromo-6-ethoxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol?
The InChIKey is OADNHGRHBUIBDW-UFWORHAWSA-N. The full InChI is InChI=1S/C16H15Br2NO3/c1-3-22-14-7-11(17)15(18)10(16(14)21)8-19-12-6-9(2)4-5-13(12)20/h4-8,20-21H,3H2,1-2H3/b19-8+.
What are the key properties of 3,4-dibromo-6-ethoxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol?
3,4-dibromo-6-ethoxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol has a molecular weight of 429.11 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-6-ethoxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol is sourced from PubChem (CID 5024698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).