4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol

C15H14BrNO2 — CID 1478235

IUPAC4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol
SMILESCOc1cc(Br)cc(/C=N/c2ccc(C)cc2)c1O
InChIInChI=1S/C15H14BrNO2/c1-10-3-5-13(6-4-10)17-9-11-7-12(16)8-14(19-2)15(11)18/h3-9,18H,1-2H3/b17-9+
InChIKeyMQBZAJXPCGJYSZ-RQZCQDPDSA-N
MW320.19 g/mol
LogP4.22
Rot. Bonds3

About 4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol

4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol (PubChem CID 1478235) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol
PubChem CID1478235
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol
SMILESCOc1cc(Br)cc(/C=N/c2ccc(C)cc2)c1O
InChIInChI=1S/C15H14BrNO2/c1-10-3-5-13(6-4-10)17-9-11-7-12(16)8-14(19-2)15(11)18/h3-9,18H,1-2H3/b17-9+
InChIKeyMQBZAJXPCGJYSZ-RQZCQDPDSA-N
XLogP4.22
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.22
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-[[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-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol
CID 3446470
4-bromo-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592590
4-bromo-2-methoxy-6-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 1121865
4-bromo-2-methoxy-6-[(5-methyl-2-pyridinyl)iminomethyl]phenol
CID 871909
methyl 3-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate
CID 1480080
4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 1377778
4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135592582
4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 1378103
4-bromo-2-[(3-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592586

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol (CID 1478235) is 4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol is COc1cc(Br)cc(/C=N/c2ccc(C)cc2)c1O.
What is the InChIKey of 4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol?
The InChIKey is MQBZAJXPCGJYSZ-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-10-3-5-13(6-4-10)17-9-11-7-12(16)8-14(19-2)15(11)18/h3-9,18H,1-2H3/b17-9+.
What are the key properties of 4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol?
4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol has a molecular weight of 320.19 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol is sourced from PubChem (CID 1478235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).