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

C14H10Br3NO2 — CID 4630820

IUPAC2-bromo-6-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-4-methylphenol
SMILESCc1cc(Br)c(O)c(/C=N/c2cc(Br)c(O)c(Br)c2)c1
InChIInChI=1S/C14H10Br3NO2/c1-7-2-8(13(19)10(15)3-7)6-18-9-4-11(16)14(20)12(17)5-9/h2-6,19-20H,1H3/b18-6+
InChIKeyNCZWROIKKVHBBV-NGYBGAFCSA-N
MW463.95 g/mol
LogP5.44
Rot. Bonds2

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

2-bromo-6-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-4-methylphenol (PubChem CID 4630820) has the molecular formula C14H10Br3NO2 and a molecular weight of 463.95 g/mol. Its IUPAC name is 2-bromo-6-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-4-methylphenol.

Molecular Properties

Compound Name2-bromo-6-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-4-methylphenol
PubChem CID4630820
Molecular FormulaC14H10Br3NO2
Molecular Weight463.95 g/mol
Exact Mass460.83
IUPAC Name2-bromo-6-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-4-methylphenol
SMILESCc1cc(Br)c(O)c(/C=N/c2cc(Br)c(O)c(Br)c2)c1
InChIInChI=1S/C14H10Br3NO2/c1-7-2-8(13(19)10(15)3-7)6-18-9-4-11(16)14(20)12(17)5-9/h2-6,19-20H,1H3/b18-6+
InChIKeyNCZWROIKKVHBBV-NGYBGAFCSA-N
XLogP5.44
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.95
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-[(2,5-dimethylphenyl)iminomethyl]-4-methylphenol
CID 3639370
2-bromo-6-[(2-chlorophenyl)iminomethyl]-4-methylphenol
CID 757958
2-bromo-6-ethenyl-4-methylphenol
CID 177021092
N-[4-[(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]butanamide
CID 3424638
2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 709091
2-[[3-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-bromo-4-methylphenol
CID 4169010
2-bromo-6-[[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4-methylphenol
CID 135556340
[4-[4-[(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1397300
2-[(4-bromophenyl)iminomethyl]-4-methyl-6-nitrophenol
CID 683751
4-benzyl-2-bromo-6-[(4-methylphenyl)iminomethyl]phenol
CID 3961983
2-iodo-4-methyl-6-(phenyliminomethyl)phenol
CID 135988546
2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde
CID 136741770

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-4-methylphenol?
The IUPAC name of 2-bromo-6-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-4-methylphenol (CID 4630820) is 2-bromo-6-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-4-methylphenol.
What is the SMILES notation for 2-bromo-6-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-4-methylphenol?
The canonical SMILES for 2-bromo-6-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-4-methylphenol is Cc1cc(Br)c(O)c(/C=N/c2cc(Br)c(O)c(Br)c2)c1.
What is the InChIKey of 2-bromo-6-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-4-methylphenol?
The InChIKey is NCZWROIKKVHBBV-NGYBGAFCSA-N. The full InChI is InChI=1S/C14H10Br3NO2/c1-7-2-8(13(19)10(15)3-7)6-18-9-4-11(16)14(20)12(17)5-9/h2-6,19-20H,1H3/b18-6+.
What are the key properties of 2-bromo-6-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-4-methylphenol?
2-bromo-6-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-4-methylphenol has a molecular weight of 463.95 g/mol, XLogP of 5.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-4-methylphenol is sourced from PubChem (CID 4630820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).