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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Related Compounds

2,4-dichloro-6-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenol
CID 136912842
2,4-dichloro-6-ethanehydrazonoylphenol
CID 135541682
[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]thiourea
CID 2803900
4-chloro-N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 3299264
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane
CID 145310067
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide
CID 137138457
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 135676383
2,4-dichloro-6-[(E)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenol
CID 135846344
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane;methane
CID 145310066
tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium
CID 170560520
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4258714
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 137104459

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).