2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol

C15H13Cl2NO — CID 709091

IUPAC2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol
SMILESCc1cc(C)cc(/N=C/c2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C15H13Cl2NO/c1-9-3-10(2)5-13(4-9)18-8-11-6-12(16)7-14(17)15(11)19/h3-8,19H,1-2H3/b18-8+
InChIKeyMPRCPMNECOCXIH-QGMBQPNBSA-N
MW294.18 g/mol
LogP5.07
Rot. Bonds2

About 2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol

2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol (PubChem CID 709091) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is 2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol
PubChem CID709091
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol
SMILESCc1cc(C)cc(/N=C/c2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C15H13Cl2NO/c1-9-3-10(2)5-13(4-9)18-8-11-6-12(16)7-14(17)15(11)19/h3-8,19H,1-2H3/b18-8+
InChIKeyMPRCPMNECOCXIH-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_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 3279697
2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol
CID 710336
2,4-dichloro-6-[(2,5-dimethylphenyl)iminomethyl]phenol
CID 710319
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 590757
2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol
CID 135759374
2,4-dichloro-6-[(E)-hydrazinylidenemethyl]phenol
CID 135445572
2,4-dichloro-6-[(4-propoxyphenyl)iminomethyl]phenol
CID 4662873
5-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione
CID 1409765
2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
CID 631330
2-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 4108135
2-bromo-6-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-4-methylphenol
CID 4630820
2,4-dichloro-6-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]phenol
CID 1041589

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol (CID 709091) is 2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol is Cc1cc(C)cc(/N=C/c2cc(Cl)cc(Cl)c2O)c1.
What is the InChIKey of 2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol?
The InChIKey is MPRCPMNECOCXIH-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c1-9-3-10(2)5-13(4-9)18-8-11-6-12(16)7-14(17)15(11)19/h3-8,19H,1-2H3/b18-8+.
What are the key properties of 2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol?
2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol 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 2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol is sourced from PubChem (CID 709091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).