2-bromo-6-[(2,5-dimethylphenyl)iminomethyl]-4-methylphenol

C16H16BrNO — CID 3639370

IUPAC2-bromo-6-[(2,5-dimethylphenyl)iminomethyl]-4-methylphenol
SMILESCc1cc(Br)c(O)c(/C=N/c2cc(C)ccc2C)c1
InChIInChI=1S/C16H16BrNO/c1-10-4-5-12(3)15(8-10)18-9-13-6-11(2)7-14(17)16(13)19/h4-9,19H,1-3H3/b18-9+
InChIKeyHFPPVAXCZXDBHC-GIJQJNRQSA-N
MW318.21 g/mol
LogP4.83
Rot. Bonds2

About 2-bromo-6-[(2,5-dimethylphenyl)iminomethyl]-4-methylphenol

2-bromo-6-[(2,5-dimethylphenyl)iminomethyl]-4-methylphenol (PubChem CID 3639370) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-bromo-6-[(2,5-dimethylphenyl)iminomethyl]-4-methylphenol.

Molecular Properties

Compound Name2-bromo-6-[(2,5-dimethylphenyl)iminomethyl]-4-methylphenol
PubChem CID3639370
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name2-bromo-6-[(2,5-dimethylphenyl)iminomethyl]-4-methylphenol
SMILESCc1cc(Br)c(O)c(/C=N/c2cc(C)ccc2C)c1
InChIInChI=1S/C16H16BrNO/c1-10-4-5-12(3)15(8-10)18-9-13-6-11(2)7-14(17)16(13)19/h4-9,19H,1-3H3/b18-9+
InChIKeyHFPPVAXCZXDBHC-GIJQJNRQSA-N
XLogP4.83
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.83
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

2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol
CID 137266730
2,4-dichloro-6-[(2,5-dimethylphenyl)iminomethyl]phenol
CID 710319
2-bromo-6-[(2-chlorophenyl)iminomethyl]-4-methylphenol
CID 757958
2-bromo-6-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-4-methylphenol
CID 4630820
4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol
CID 135648337
N-(2,5-dimethylphenyl)-1-[4-[(2,5-dimethylphenyl)iminomethyl]phenyl]methanimine
CID 134109201
4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol
CID 780515
4-methyl-2-[(2-methylphenyl)iminomethyl]phenol
CID 136675822
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol
CID 779396
2-[(2,5-dimethylphenyl)iminomethyl]-4-methyl-6-nitrophenolate
CID 7067911
2-bromo-6-ethenyl-4-methylphenol
CID 177021092
1-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126215948

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(2,5-dimethylphenyl)iminomethyl]-4-methylphenol?
The IUPAC name of 2-bromo-6-[(2,5-dimethylphenyl)iminomethyl]-4-methylphenol (CID 3639370) is 2-bromo-6-[(2,5-dimethylphenyl)iminomethyl]-4-methylphenol.
What is the SMILES notation for 2-bromo-6-[(2,5-dimethylphenyl)iminomethyl]-4-methylphenol?
The canonical SMILES for 2-bromo-6-[(2,5-dimethylphenyl)iminomethyl]-4-methylphenol is Cc1cc(Br)c(O)c(/C=N/c2cc(C)ccc2C)c1.
What is the InChIKey of 2-bromo-6-[(2,5-dimethylphenyl)iminomethyl]-4-methylphenol?
The InChIKey is HFPPVAXCZXDBHC-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-10-4-5-12(3)15(8-10)18-9-13-6-11(2)7-14(17)16(13)19/h4-9,19H,1-3H3/b18-9+.
What are the key properties of 2-bromo-6-[(2,5-dimethylphenyl)iminomethyl]-4-methylphenol?
2-bromo-6-[(2,5-dimethylphenyl)iminomethyl]-4-methylphenol has a molecular weight of 318.21 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(2,5-dimethylphenyl)iminomethyl]-4-methylphenol is sourced from PubChem (CID 3639370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).