4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol

C16H15Br2NO2 — CID 3446470

IUPAC4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1cc(Br)cc(/C=N/c2c(C)cc(Br)cc2C)c1O
InChIInChI=1S/C16H15Br2NO2/c1-9-4-12(17)5-10(2)15(9)19-8-11-6-13(18)7-14(21-3)16(11)20/h4-8,20H,1-3H3/b19-8+
InChIKeyCHKLTQDQQRPIGC-UFWORHAWSA-N
MW413.11 g/mol
LogP5.29
Rot. Bonds3

About 4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol

4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol (PubChem CID 3446470) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is 4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol
PubChem CID3446470
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC Name4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1cc(Br)cc(/C=N/c2c(C)cc(Br)cc2C)c1O
InChIInChI=1S/C16H15Br2NO2/c1-9-4-12(17)5-10(2)15(9)19-8-11-6-13(18)7-14(21-3)16(11)20/h4-8,20H,1-3H3/b19-8+
InChIKeyCHKLTQDQQRPIGC-UFWORHAWSA-N
XLogP5.29
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.11
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol
CID 1478235
4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol
CID 135619923
4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methoxyphenol
CID 135619911
4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol
CID 3414958
4-bromo-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592590
4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 1378103
4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol
CID 135689605
4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135592582
4-bromo-2-methoxy-6-[(5-methyl-2-pyridinyl)iminomethyl]phenol
CID 871909
4-bromo-2-[(3-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592586
2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol
CID 135501673
4-bromo-2-methoxy-6-(1,2,4-triazol-4-yliminomethyl)phenol
CID 796355

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol?
The IUPAC name of 4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol (CID 3446470) is 4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol?
The canonical SMILES for 4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol is COc1cc(Br)cc(/C=N/c2c(C)cc(Br)cc2C)c1O.
What is the InChIKey of 4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol?
The InChIKey is CHKLTQDQQRPIGC-UFWORHAWSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-9-4-12(17)5-10(2)15(9)19-8-11-6-13(18)7-14(21-3)16(11)20/h4-8,20H,1-3H3/b19-8+.
What are the key properties of 4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol?
4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol has a molecular weight of 413.11 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 3446470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).