2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol

C15H13Cl2NO2 — CID 590757

IUPAC2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
SMILESCc1cc(O)c(/N=C/c2cc(Cl)cc(Cl)c2O)cc1C
InChIInChI=1S/C15H13Cl2NO2/c1-8-3-13(14(19)4-9(8)2)18-7-10-5-11(16)6-12(17)15(10)20/h3-7,19-20H,1-2H3/b18-7+
InChIKeyWAHDKGRUKZFKRW-CNHKJKLMSA-N
MW310.18 g/mol
LogP4.77
Rot. Bonds2

About 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol

2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol (PubChem CID 590757) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
PubChem CID590757
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
SMILESCc1cc(O)c(/N=C/c2cc(Cl)cc(Cl)c2O)cc1C
InChIInChI=1S/C15H13Cl2NO2/c1-8-3-13(14(19)4-9(8)2)18-7-10-5-11(16)6-12(17)15(10)20/h3-7,19-20H,1-2H3/b18-7+
InChIKeyWAHDKGRUKZFKRW-CNHKJKLMSA-N
XLogP4.77
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.77
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

2,4-dichloro-6-[(2,5-dimethylphenyl)iminomethyl]phenol
CID 710319
2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 3279697
2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 709091
2-[(2-hydroxy-4,5-dimethylphenyl)iminomethyl]-6-iodo-4-methylphenol
CID 171980248
3-chloro-5-[[2-[(3-chloro-2-hydroxy-5-sulfophenyl)methylideneamino]-4,5-dimethylphenyl]iminomethyl]-4-hydroxybenzenesulfonic acid
CID 136731936
2,4-dichloro-6-[(2,5-dimethoxyphenyl)iminomethyl]phenol
CID 710294
2,4-dichloro-6-[(E)-hydrazinylidenemethyl]phenol
CID 135445572
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 135633918
2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol
CID 135759374
2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol
CID 710336
carbamothioyl-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-dimethylazanium
CID 135781345
2,4-dichloro-6-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 3096849

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol?
The IUPAC name of 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol (CID 590757) is 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol.
What is the SMILES notation for 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol?
The canonical SMILES for 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol is Cc1cc(O)c(/N=C/c2cc(Cl)cc(Cl)c2O)cc1C.
What is the InChIKey of 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol?
The InChIKey is WAHDKGRUKZFKRW-CNHKJKLMSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-8-3-13(14(19)4-9(8)2)18-7-10-5-11(16)6-12(17)15(10)20/h3-7,19-20H,1-2H3/b18-7+.
What are the key properties of 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol?
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol has a molecular weight of 310.18 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol is sourced from PubChem (CID 590757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).