2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol

C15H14BrNO2 — CID 135633918

IUPAC2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
SMILESCc1cc(O)c(/N=C/c2cc(Br)ccc2O)cc1C
InChIInChI=1S/C15H14BrNO2/c1-9-5-13(15(19)6-10(9)2)17-8-11-7-12(16)3-4-14(11)18/h3-8,18-19H,1-2H3/b17-8+
InChIKeyZPNMIDPZDIYSBT-CAOOACKPSA-N
MW320.19 g/mol
LogP4.23
Rot. Bonds2

About 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol

2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol (PubChem CID 135633918) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol.

Molecular Properties

Compound Name2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
PubChem CID135633918
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
SMILESCc1cc(O)c(/N=C/c2cc(Br)ccc2O)cc1C
InChIInChI=1S/C15H14BrNO2/c1-9-5-13(15(19)6-10(9)2)17-8-11-7-12(16)3-4-14(11)18/h3-8,18-19H,1-2H3/b17-8+
InChIKeyZPNMIDPZDIYSBT-CAOOACKPSA-N
XLogP4.23
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol
CID 135657405
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol
CID 779396
2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 135720813
4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol
CID 135657407
4-bromo-2-[[2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol
CID 136825488
4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]phenol
CID 780549
4-bromo-2-[(2,3-dichlorophenyl)iminomethyl]phenol
CID 710129
4-bromo-2-[(4-methyl-2-pyridinyl)iminomethyl]phenol
CID 869448
4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol
CID 707393
4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol
CID 135692449
2-[(2-hydroxy-4,5-dimethylphenyl)iminomethyl]-6-iodo-4-methylphenol
CID 171980248
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 590757

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol?
The IUPAC name of 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol (CID 135633918) is 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol.
What is the SMILES notation for 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol?
The canonical SMILES for 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol is Cc1cc(O)c(/N=C/c2cc(Br)ccc2O)cc1C.
What is the InChIKey of 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol?
The InChIKey is ZPNMIDPZDIYSBT-CAOOACKPSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-9-5-13(15(19)6-10(9)2)17-8-11-7-12(16)3-4-14(11)18/h3-8,18-19H,1-2H3/b17-8+.
What are the key properties of 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol?
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol has a molecular weight of 320.19 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol is sourced from PubChem (CID 135633918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).