2,4-dichloro-6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]phenol

C10H12Cl2N2O — CID 135445489

IUPAC2,4-dichloro-6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\N(C)C)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H12Cl2N2O/c1-6(13-14(2)3)8-4-7(11)5-9(12)10(8)15/h4-5,15H,1-3H3/b13-6+
InChIKeyRIIYKOOLEILXPA-AWNIVKPZSA-N
MW247.12 g/mol
LogP2.98
Rot. Bonds2

About 2,4-dichloro-6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]phenol

2,4-dichloro-6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]phenol (PubChem CID 135445489) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]phenol
PubChem CID135445489
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name2,4-dichloro-6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\N(C)C)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H12Cl2N2O/c1-6(13-14(2)3)8-4-7(11)5-9(12)10(8)15/h4-5,15H,1-3H3/b13-6+
InChIKeyRIIYKOOLEILXPA-AWNIVKPZSA-N
XLogP2.98
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]phenol (CID 135445489) is 2,4-dichloro-6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]phenol is C/C(=N\N(C)C)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]phenol?
The InChIKey is RIIYKOOLEILXPA-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-6(13-14(2)3)8-4-7(11)5-9(12)10(8)15/h4-5,15H,1-3H3/b13-6+.
What are the key properties of 2,4-dichloro-6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]phenol?
2,4-dichloro-6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]phenol has a molecular weight of 247.12 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135445489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).