4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol

C15H13BrClNO2 — CID 1378103

IUPAC4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1cc(Br)cc(/C=N/c2cc(Cl)ccc2C)c1O
InChIInChI=1S/C15H13BrClNO2/c1-9-3-4-12(17)7-13(9)18-8-10-5-11(16)6-14(20-2)15(10)19/h3-8,19H,1-2H3/b18-8+
InChIKeyDIOTUUSFUWGLSN-QGMBQPNBSA-N
MW354.63 g/mol
LogP4.88
Rot. Bonds3

About 4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol

4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol (PubChem CID 1378103) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol
PubChem CID1378103
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1cc(Br)cc(/C=N/c2cc(Cl)ccc2C)c1O
InChIInChI=1S/C15H13BrClNO2/c1-9-3-4-12(17)7-13(9)18-8-10-5-11(16)6-14(20-2)15(10)19/h3-8,19H,1-2H3/b18-8+
InChIKeyDIOTUUSFUWGLSN-QGMBQPNBSA-N
XLogP4.88
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.88
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-[(3-chloro-4-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592590
4-bromo-2-[(3-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592586
4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol
CID 3446470
4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol
CID 1478235
4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135592582
4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol
CID 135619923
4-bromo-2-[(4-chlorophenyl)methylideneamino]-6-methoxyphenol
CID 58348177
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
2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzoic acid
CID 871301
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine
CID 126217471
4-[(5-chloro-2-methylphenyl)iminomethyl]-2-methoxy-6-nitrophenol
CID 137117281

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol?
The IUPAC name of 4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol (CID 1378103) is 4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol?
The canonical SMILES for 4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol is COc1cc(Br)cc(/C=N/c2cc(Cl)ccc2C)c1O.
What is the InChIKey of 4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol?
The InChIKey is DIOTUUSFUWGLSN-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-9-3-4-12(17)7-13(9)18-8-10-5-11(16)6-14(20-2)15(10)19/h3-8,19H,1-2H3/b18-8+.
What are the key properties of 4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol?
4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol has a molecular weight of 354.63 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 1378103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).