2-bromo-4-chloro-6-[(3-chloro-4-methoxyphenyl)iminomethyl]-3,5-dimethylphenol

C16H14BrCl2NO2 — CID 3277239

IUPAC2-bromo-4-chloro-6-[(3-chloro-4-methoxyphenyl)iminomethyl]-3,5-dimethylphenol
SMILESCOc1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)cc1Cl
InChIInChI=1S/C16H14BrCl2NO2/c1-8-11(16(21)14(17)9(2)15(8)19)7-20-10-4-5-13(22-3)12(18)6-10/h4-7,21H,1-3H3/b20-7+
InChIKeyQDYXLXNZFRGOOB-IFRROFPPSA-N
MW403.10 g/mol
LogP5.84
Rot. Bonds3

About 2-bromo-4-chloro-6-[(3-chloro-4-methoxyphenyl)iminomethyl]-3,5-dimethylphenol

2-bromo-4-chloro-6-[(3-chloro-4-methoxyphenyl)iminomethyl]-3,5-dimethylphenol (PubChem CID 3277239) has the molecular formula C16H14BrCl2NO2 and a molecular weight of 403.10 g/mol. Its IUPAC name is 2-bromo-4-chloro-6-[(3-chloro-4-methoxyphenyl)iminomethyl]-3,5-dimethylphenol.

Molecular Properties

Compound Name2-bromo-4-chloro-6-[(3-chloro-4-methoxyphenyl)iminomethyl]-3,5-dimethylphenol
PubChem CID3277239
Molecular FormulaC16H14BrCl2NO2
Molecular Weight403.10 g/mol
Exact Mass400.96
IUPAC Name2-bromo-4-chloro-6-[(3-chloro-4-methoxyphenyl)iminomethyl]-3,5-dimethylphenol
SMILESCOc1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)cc1Cl
InChIInChI=1S/C16H14BrCl2NO2/c1-8-11(16(21)14(17)9(2)15(8)19)7-20-10-4-5-13(22-3)12(18)6-10/h4-7,21H,1-3H3/b20-7+
InChIKeyQDYXLXNZFRGOOB-IFRROFPPSA-N
XLogP5.84
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.10
LogP ≤ 55.84
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

2-bromo-4-chloro-6-[(3,4-dimethylphenyl)iminomethyl]-3,5-dimethylphenol
CID 4659881
2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol
CID 964874
1-(3-bromophenyl)-N-(3-chloro-4-methoxyphenyl)methanimine
CID 21211700
2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol
CID 135595566
2-[[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]iminomethyl]-6-bromo-4-chloro-3,5-dimethylphenol
CID 4035583
4-bromo-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592590
2-bromo-4-chloro-6-[[4-hydroxy-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-3,5-dimethylphenol
CID 171980803
5-[(3-chloro-4-methoxyphenyl)iminomethyl]-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 135668731
4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenol
CID 681301
2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol
CID 681274
N-(3-chloro-4-methoxyphenyl)propan-2-imine
CID 11745602
2-bromo-3-chloro-6-methoxyphenol
CID 84700321

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-6-[(3-chloro-4-methoxyphenyl)iminomethyl]-3,5-dimethylphenol?
The IUPAC name of 2-bromo-4-chloro-6-[(3-chloro-4-methoxyphenyl)iminomethyl]-3,5-dimethylphenol (CID 3277239) is 2-bromo-4-chloro-6-[(3-chloro-4-methoxyphenyl)iminomethyl]-3,5-dimethylphenol.
What is the SMILES notation for 2-bromo-4-chloro-6-[(3-chloro-4-methoxyphenyl)iminomethyl]-3,5-dimethylphenol?
The canonical SMILES for 2-bromo-4-chloro-6-[(3-chloro-4-methoxyphenyl)iminomethyl]-3,5-dimethylphenol is COc1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)cc1Cl.
What is the InChIKey of 2-bromo-4-chloro-6-[(3-chloro-4-methoxyphenyl)iminomethyl]-3,5-dimethylphenol?
The InChIKey is QDYXLXNZFRGOOB-IFRROFPPSA-N. The full InChI is InChI=1S/C16H14BrCl2NO2/c1-8-11(16(21)14(17)9(2)15(8)19)7-20-10-4-5-13(22-3)12(18)6-10/h4-7,21H,1-3H3/b20-7+.
What are the key properties of 2-bromo-4-chloro-6-[(3-chloro-4-methoxyphenyl)iminomethyl]-3,5-dimethylphenol?
2-bromo-4-chloro-6-[(3-chloro-4-methoxyphenyl)iminomethyl]-3,5-dimethylphenol has a molecular weight of 403.10 g/mol, XLogP of 5.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-6-[(3-chloro-4-methoxyphenyl)iminomethyl]-3,5-dimethylphenol is sourced from PubChem (CID 3277239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).