2-iodo-4-methyl-6-(phenyliminomethyl)phenol

C14H12INO — CID 135988546

IUPAC2-iodo-4-methyl-6-(phenyliminomethyl)phenol
SMILESCc1cc(I)c(O)c(/C=N/c2ccccc2)c1
InChIInChI=1S/C14H12INO/c1-10-7-11(14(17)13(15)8-10)9-16-12-5-3-2-4-6-12/h2-9,17H,1H3/b16-9+
InChIKeyHZYHGXOFOLNQBO-CXUHLZMHSA-N
MW337.16 g/mol
LogP4.06
Rot. Bonds2

About 2-iodo-4-methyl-6-(phenyliminomethyl)phenol

2-iodo-4-methyl-6-(phenyliminomethyl)phenol (PubChem CID 135988546) has the molecular formula C14H12INO and a molecular weight of 337.16 g/mol. Its IUPAC name is 2-iodo-4-methyl-6-(phenyliminomethyl)phenol.

Molecular Properties

Compound Name2-iodo-4-methyl-6-(phenyliminomethyl)phenol
PubChem CID135988546
Molecular FormulaC14H12INO
Molecular Weight337.16 g/mol
Exact Mass337.00
IUPAC Name2-iodo-4-methyl-6-(phenyliminomethyl)phenol
SMILESCc1cc(I)c(O)c(/C=N/c2ccccc2)c1
InChIInChI=1S/C14H12INO/c1-10-7-11(14(17)13(15)8-10)9-16-12-5-3-2-4-6-12/h2-9,17H,1H3/b16-9+
InChIKeyHZYHGXOFOLNQBO-CXUHLZMHSA-N
XLogP4.06
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde
CID 136741770
2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol
CID 5076612
2-[(2-fluorophenyl)iminomethyl]-6-iodo-4-methylphenol
CID 135988559
2-iodo-4-methyl-6-[(2-phenyl-3H-indol-6-yl)iminomethyl]phenol
CID 158401781
ethyl 4-[(2-hydroxy-3-iodo-5-methylphenyl)methylideneamino]benzoate
CID 4095582
4-methyl-2-(9-methylfluoren-9-yl)-6-(phenyliminomethyl)phenol
CID 135997437
2-[(2-hydroxy-4,5-dimethylphenyl)iminomethyl]-6-iodo-4-methylphenol
CID 171980248
2-[(4-anilinophenyl)iminomethyl]-4,6-diiodophenol
CID 171981187
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
CID 137162019
4-methyl-2-(phenyliminomethyl)aniline
CID 139726369
2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol
CID 4092564
2,6-diiodo-4-methylphenol
CID 4541084

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-methyl-6-(phenyliminomethyl)phenol?
The IUPAC name of 2-iodo-4-methyl-6-(phenyliminomethyl)phenol (CID 135988546) is 2-iodo-4-methyl-6-(phenyliminomethyl)phenol.
What is the SMILES notation for 2-iodo-4-methyl-6-(phenyliminomethyl)phenol?
The canonical SMILES for 2-iodo-4-methyl-6-(phenyliminomethyl)phenol is Cc1cc(I)c(O)c(/C=N/c2ccccc2)c1.
What is the InChIKey of 2-iodo-4-methyl-6-(phenyliminomethyl)phenol?
The InChIKey is HZYHGXOFOLNQBO-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H12INO/c1-10-7-11(14(17)13(15)8-10)9-16-12-5-3-2-4-6-12/h2-9,17H,1H3/b16-9+.
What are the key properties of 2-iodo-4-methyl-6-(phenyliminomethyl)phenol?
2-iodo-4-methyl-6-(phenyliminomethyl)phenol has a molecular weight of 337.16 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-methyl-6-(phenyliminomethyl)phenol is sourced from PubChem (CID 135988546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).