3,4-dibromo-2-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-6-ethoxyphenol

C15H11Br4NO3 — CID 4630823

IUPAC3,4-dibromo-2-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-6-ethoxyphenol
SMILESCCOc1cc(Br)c(Br)c(/C=N/c2cc(Br)c(O)c(Br)c2)c1O
InChIInChI=1S/C15H11Br4NO3/c1-2-23-12-5-9(16)13(19)8(14(12)21)6-20-7-3-10(17)15(22)11(18)4-7/h3-6,21-22H,2H2,1H3/b20-6+
InChIKeyXRFNGHXQPMGQNC-CGOBSMCZSA-N
MW572.87 g/mol
LogP6.30
Rot. Bonds4

About 3,4-dibromo-2-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-6-ethoxyphenol

3,4-dibromo-2-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-6-ethoxyphenol (PubChem CID 4630823) has the molecular formula C15H11Br4NO3 and a molecular weight of 572.87 g/mol. Its IUPAC name is 3,4-dibromo-2-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-6-ethoxyphenol.

Molecular Properties

Compound Name3,4-dibromo-2-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-6-ethoxyphenol
PubChem CID4630823
Molecular FormulaC15H11Br4NO3
Molecular Weight572.87 g/mol
Exact Mass568.75
IUPAC Name3,4-dibromo-2-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-6-ethoxyphenol
SMILESCCOc1cc(Br)c(Br)c(/C=N/c2cc(Br)c(O)c(Br)c2)c1O
InChIInChI=1S/C15H11Br4NO3/c1-2-23-12-5-9(16)13(19)8(14(12)21)6-20-7-3-10(17)15(22)11(18)4-7/h3-6,21-22H,2H2,1H3/b20-6+
InChIKeyXRFNGHXQPMGQNC-CGOBSMCZSA-N
XLogP6.30
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.87
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dibromo-6-ethoxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol
CID 5024698
3,4-dibromo-2-[[2-bromo-5-(trifluoromethyl)phenyl]iminomethyl]-6-ethoxyphenol
CID 135588655
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-6-ethoxy-2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 4110397
N-[(Z)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 135891670
N-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 4518563
2-bromo-4-[(3,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 137059390
N-[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 139301914
3,4-dibromo-2-[[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]-6-ethoxyphenol
CID 137157524
2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenol
CID 4155437
2-[(4-anilinophenyl)iminomethyl]-3,4-dibromo-6-methoxyphenol
CID 171981143

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-2-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-6-ethoxyphenol?
The IUPAC name of 3,4-dibromo-2-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-6-ethoxyphenol (CID 4630823) is 3,4-dibromo-2-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-6-ethoxyphenol.
What is the SMILES notation for 3,4-dibromo-2-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-6-ethoxyphenol?
The canonical SMILES for 3,4-dibromo-2-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-6-ethoxyphenol is CCOc1cc(Br)c(Br)c(/C=N/c2cc(Br)c(O)c(Br)c2)c1O.
What is the InChIKey of 3,4-dibromo-2-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-6-ethoxyphenol?
The InChIKey is XRFNGHXQPMGQNC-CGOBSMCZSA-N. The full InChI is InChI=1S/C15H11Br4NO3/c1-2-23-12-5-9(16)13(19)8(14(12)21)6-20-7-3-10(17)15(22)11(18)4-7/h3-6,21-22H,2H2,1H3/b20-6+.
What are the key properties of 3,4-dibromo-2-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-6-ethoxyphenol?
3,4-dibromo-2-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-6-ethoxyphenol has a molecular weight of 572.87 g/mol, XLogP of 6.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-2-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-6-ethoxyphenol is sourced from PubChem (CID 4630823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).