2-chloro-6-methanimidoyl-4-methylphenol

C8H8ClNO — CID 143431027

IUPAC2-chloro-6-methanimidoyl-4-methylphenol
SMILES[H]/N=C/c1cc(C)cc(Cl)c1O
InChIInChI=1S/C8H8ClNO/c1-5-2-6(4-10)8(11)7(9)3-5/h2-4,10-11H,1H3/b10-4+
InChIKeyVMEAYZKBDNJXIM-ONNFQVAWSA-N
MW169.61 g/mol
LogP2.35
Rot. Bonds1

About 2-chloro-6-methanimidoyl-4-methylphenol

2-chloro-6-methanimidoyl-4-methylphenol (PubChem CID 143431027) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 2-chloro-6-methanimidoyl-4-methylphenol.

Molecular Properties

Compound Name2-chloro-6-methanimidoyl-4-methylphenol
PubChem CID143431027
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name2-chloro-6-methanimidoyl-4-methylphenol
SMILES[H]/N=C/c1cc(C)cc(Cl)c1O
InChIInChI=1S/C8H8ClNO/c1-5-2-6(4-10)8(11)7(9)3-5/h2-4,10-11H,1H3/b10-4+
InChIKeyVMEAYZKBDNJXIM-ONNFQVAWSA-N
XLogP2.35
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-fluoro-6-methanimidoylphenol
CID 137299658
(Z)-3-(3-chloro-2-hydroxy-5-methylphenyl)prop-2-enamide
CID 131497818
(2-methoxy-3,5-dimethylphenyl)methanimine
CID 176965340
(2-amino-3-methanimidoyl-5-methylphenyl) thiohypochlorite
CID 164573702
5-amino-4-methanimidoyl-2-methylphenol
CID 164586972
2-methanimidoyl-4-methylbenzaldehyde
CID 22447756
2-[[(2-aminocyclohexyl)-methylamino]methyl]-6-methanimidoyl-4-methylphenol
CID 142273238
2-methanimidoyl-4-methyl-6-methylsulfanylaniline;nitroxyl
CID 164573873
3-chloro-6-methanimidoyl-2-methylaniline
CID 146551332
2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 709091
4-tert-butyl-2-ethyl-6-methanimidoylphenol
CID 145026368
2-(2-aminoethyl)-6-chloro-4-methylphenol
CID 83876612

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methanimidoyl-4-methylphenol?
The IUPAC name of 2-chloro-6-methanimidoyl-4-methylphenol (CID 143431027) is 2-chloro-6-methanimidoyl-4-methylphenol.
What is the SMILES notation for 2-chloro-6-methanimidoyl-4-methylphenol?
The canonical SMILES for 2-chloro-6-methanimidoyl-4-methylphenol is [H]/N=C/c1cc(C)cc(Cl)c1O.
What is the InChIKey of 2-chloro-6-methanimidoyl-4-methylphenol?
The InChIKey is VMEAYZKBDNJXIM-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H8ClNO/c1-5-2-6(4-10)8(11)7(9)3-5/h2-4,10-11H,1H3/b10-4+.
What are the key properties of 2-chloro-6-methanimidoyl-4-methylphenol?
2-chloro-6-methanimidoyl-4-methylphenol has a molecular weight of 169.61 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methanimidoyl-4-methylphenol is sourced from PubChem (CID 143431027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).