2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenol

C15H13Br2NO — CID 137138656

IUPAC2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenol
SMILESCc1ccc(/N=C/c2cc(Br)c(O)c(Br)c2)cc1C
InChIInChI=1S/C15H13Br2NO/c1-9-3-4-12(5-10(9)2)18-8-11-6-13(16)15(19)14(17)7-11/h3-8,19H,1-2H3/b18-8+
InChIKeyNZONJNXZENSCOU-QGMBQPNBSA-N
MW383.08 g/mol
LogP5.28
Rot. Bonds2

About 2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenol

2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenol (PubChem CID 137138656) has the molecular formula C15H13Br2NO and a molecular weight of 383.08 g/mol. Its IUPAC name is 2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenol
PubChem CID137138656
Molecular FormulaC15H13Br2NO
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC Name2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenol
SMILESCc1ccc(/N=C/c2cc(Br)c(O)c(Br)c2)cc1C
InChIInChI=1S/C15H13Br2NO/c1-9-3-4-12(5-10(9)2)18-8-11-6-13(16)15(19)14(17)7-11/h3-8,19H,1-2H3/b18-8+
InChIKeyNZONJNXZENSCOU-QGMBQPNBSA-N
XLogP5.28
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.08
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-[(3,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 137059390
2,6-dibromo-4-[(2,4,6-trimethylphenyl)iminomethyl]phenol
CID 2781419
1-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126214636
2-[2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126221588
4-[(4-fluoro-3-methylphenyl)iminomethyl]-2,6-dimethylphenol
CID 3535730
2,6-dichloro-4-[(3-chloro-4-methylphenyl)iminomethyl]phenol
CID 137149795
2-bromo-4-chloro-6-[(3,4-dimethylphenyl)iminomethyl]-3,5-dimethylphenol
CID 4659881
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126217206
4-[(3,4-dimethylphenyl)iminomethyl]-2-nitrophenol
CID 137171984
2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol
CID 137021949
4-[(2-bromophenyl)diazenyl]-2-[(3,4-dimethylphenyl)iminomethyl]phenol
CID 137242238
3-bromo-2-methoxy-5-[(4-methoxyphenyl)iminomethyl]phenol
CID 71417095

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenol (CID 137138656) is 2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenol is Cc1ccc(/N=C/c2cc(Br)c(O)c(Br)c2)cc1C.
What is the InChIKey of 2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenol?
The InChIKey is NZONJNXZENSCOU-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H13Br2NO/c1-9-3-4-12(5-10(9)2)18-8-11-6-13(16)15(19)14(17)7-11/h3-8,19H,1-2H3/b18-8+.
What are the key properties of 2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenol?
2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenol has a molecular weight of 383.08 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenol is sourced from PubChem (CID 137138656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).