2-[(2,4-dichlorophenyl)methylideneamino]-4,6-dimethylphenol

C15H13Cl2NO — CID 779335

IUPAC2-[(2,4-dichlorophenyl)methylideneamino]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(/N=C/c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H13Cl2NO/c1-9-5-10(2)15(19)14(6-9)18-8-11-3-4-12(16)7-13(11)17/h3-8,19H,1-2H3/b18-8+
InChIKeySCMYMKCHZYHWNP-QGMBQPNBSA-N
MW294.18 g/mol
LogP5.07
Rot. Bonds2

About 2-[(2,4-dichlorophenyl)methylideneamino]-4,6-dimethylphenol

2-[(2,4-dichlorophenyl)methylideneamino]-4,6-dimethylphenol (PubChem CID 779335) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylideneamino]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylideneamino]-4,6-dimethylphenol
PubChem CID779335
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name2-[(2,4-dichlorophenyl)methylideneamino]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(/N=C/c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H13Cl2NO/c1-9-5-10(2)15(19)14(6-9)18-8-11-3-4-12(16)7-13(11)17/h3-8,19H,1-2H3/b18-8+
InChIKeySCMYMKCHZYHWNP-QGMBQPNBSA-N
XLogP5.07
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.18
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol
CID 779811
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol
CID 779396
2,4-dichloro-6-[(2,5-dimethylphenyl)iminomethyl]phenol
CID 710319
4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol
CID 135648337
bis(dimethylazanide);2,4-dimethyl-6-[(2,4,6-trimethylphenyl)methylideneamino]phenol;titanium(2+)
CID 23579022
1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 3629789
N-(5-chloro-2-methylphenyl)-1-(2-chlorophenyl)methanimine
CID 4191286
2-[(2,4-dichlorophenyl)methylideneamino]-4-phenylphenol
CID 4059115
1-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)methanimine
CID 132602552
N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2,4,6-trimethylphenyl)oxamide
CID 6871449
2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol
CID 137266730
2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol
CID 137032211

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylideneamino]-4,6-dimethylphenol?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylideneamino]-4,6-dimethylphenol (CID 779335) is 2-[(2,4-dichlorophenyl)methylideneamino]-4,6-dimethylphenol.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylideneamino]-4,6-dimethylphenol?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylideneamino]-4,6-dimethylphenol is Cc1cc(C)c(O)c(/N=C/c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylideneamino]-4,6-dimethylphenol?
The InChIKey is SCMYMKCHZYHWNP-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c1-9-5-10(2)15(19)14(6-9)18-8-11-3-4-12(16)7-13(11)17/h3-8,19H,1-2H3/b18-8+.
What are the key properties of 2-[(2,4-dichlorophenyl)methylideneamino]-4,6-dimethylphenol?
2-[(2,4-dichlorophenyl)methylideneamino]-4,6-dimethylphenol has a molecular weight of 294.18 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylideneamino]-4,6-dimethylphenol is sourced from PubChem (CID 779335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).