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

C10H10Cl3NO — CID 136648944

IUPAC2,4-dichloro-6-[N-(2-chloroethyl)-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\CCCl)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H10Cl3NO/c1-6(14-3-2-11)8-4-7(12)5-9(13)10(8)15/h4-5,15H,2-3H2,1H3/b14-6+
InChIKeyPDDUCBNMTKNBOV-MKMNVTDBSA-N
MW266.56 g/mol
LogP3.75
Rot. Bonds3

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

2,4-dichloro-6-[N-(2-chloroethyl)-C-methylcarbonimidoyl]phenol (PubChem CID 136648944) has the molecular formula C10H10Cl3NO and a molecular weight of 266.56 g/mol. Its IUPAC name is 2,4-dichloro-6-[N-(2-chloroethyl)-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[N-(2-chloroethyl)-C-methylcarbonimidoyl]phenol
PubChem CID136648944
Molecular FormulaC10H10Cl3NO
Molecular Weight266.56 g/mol
Exact Mass264.98
IUPAC Name2,4-dichloro-6-[N-(2-chloroethyl)-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\CCCl)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H10Cl3NO/c1-6(14-3-2-11)8-4-7(12)5-9(13)10(8)15/h4-5,15H,2-3H2,1H3/b14-6+
InChIKeyPDDUCBNMTKNBOV-MKMNVTDBSA-N
XLogP3.75
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.56
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[N-(2-chloroethyl)-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2,4-dichloro-6-[N-(2-chloroethyl)-C-methylcarbonimidoyl]phenol (CID 136648944) is 2,4-dichloro-6-[N-(2-chloroethyl)-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[N-(2-chloroethyl)-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[N-(2-chloroethyl)-C-methylcarbonimidoyl]phenol is C/C(=N\CCCl)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[N-(2-chloroethyl)-C-methylcarbonimidoyl]phenol?
The InChIKey is PDDUCBNMTKNBOV-MKMNVTDBSA-N. The full InChI is InChI=1S/C10H10Cl3NO/c1-6(14-3-2-11)8-4-7(12)5-9(13)10(8)15/h4-5,15H,2-3H2,1H3/b14-6+.
What are the key properties of 2,4-dichloro-6-[N-(2-chloroethyl)-C-methylcarbonimidoyl]phenol?
2,4-dichloro-6-[N-(2-chloroethyl)-C-methylcarbonimidoyl]phenol has a molecular weight of 266.56 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[N-(2-chloroethyl)-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 136648944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).