2-[(2-hydroxy-4,5-dimethylphenyl)iminomethyl]-6-iodo-4-methylphenol

C16H16INO2 — CID 171980248

IUPAC2-[(2-hydroxy-4,5-dimethylphenyl)iminomethyl]-6-iodo-4-methylphenol
SMILESCc1cc(I)c(O)c(/C=N/c2cc(C)c(C)cc2O)c1
InChIInChI=1S/C16H16INO2/c1-9-4-12(16(20)13(17)5-9)8-18-14-6-10(2)11(3)7-15(14)19/h4-8,19-20H,1-3H3/b18-8+
InChIKeyYEYWNZFRYGVROT-QGMBQPNBSA-N
MW381.21 g/mol
LogP4.38
Rot. Bonds2

About 2-[(2-hydroxy-4,5-dimethylphenyl)iminomethyl]-6-iodo-4-methylphenol

2-[(2-hydroxy-4,5-dimethylphenyl)iminomethyl]-6-iodo-4-methylphenol (PubChem CID 171980248) has the molecular formula C16H16INO2 and a molecular weight of 381.21 g/mol. Its IUPAC name is 2-[(2-hydroxy-4,5-dimethylphenyl)iminomethyl]-6-iodo-4-methylphenol.

Molecular Properties

Compound Name2-[(2-hydroxy-4,5-dimethylphenyl)iminomethyl]-6-iodo-4-methylphenol
PubChem CID171980248
Molecular FormulaC16H16INO2
Molecular Weight381.21 g/mol
Exact Mass381.02
IUPAC Name2-[(2-hydroxy-4,5-dimethylphenyl)iminomethyl]-6-iodo-4-methylphenol
SMILESCc1cc(I)c(O)c(/C=N/c2cc(C)c(C)cc2O)c1
InChIInChI=1S/C16H16INO2/c1-9-4-12(16(20)13(17)5-9)8-18-14-6-10(2)11(3)7-15(14)19/h4-8,19-20H,1-3H3/b18-8+
InChIKeyYEYWNZFRYGVROT-QGMBQPNBSA-N
XLogP4.38
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-fluorophenyl)iminomethyl]-6-iodo-4-methylphenol
CID 135988559
2-iodo-4-methyl-6-(phenyliminomethyl)phenol
CID 135988546
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 590757
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 135633918
2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol
CID 137266730
2,6-diiodo-4-methylphenol
CID 4541084
2-bromo-6-[(2,5-dimethylphenyl)iminomethyl]-4-methylphenol
CID 3639370
ethyl 4-[(2-hydroxy-3-iodo-5-methylphenyl)methylideneamino]benzoate
CID 4095582
2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol
CID 137032211
4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol
CID 137173243
2-bromo-6-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-4-methylphenol
CID 4630820
2-[(2-hydroxy-5-phenylphenyl)iminomethyl]-4,6-diiodophenol
CID 3915695

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4,5-dimethylphenyl)iminomethyl]-6-iodo-4-methylphenol?
The IUPAC name of 2-[(2-hydroxy-4,5-dimethylphenyl)iminomethyl]-6-iodo-4-methylphenol (CID 171980248) is 2-[(2-hydroxy-4,5-dimethylphenyl)iminomethyl]-6-iodo-4-methylphenol.
What is the SMILES notation for 2-[(2-hydroxy-4,5-dimethylphenyl)iminomethyl]-6-iodo-4-methylphenol?
The canonical SMILES for 2-[(2-hydroxy-4,5-dimethylphenyl)iminomethyl]-6-iodo-4-methylphenol is Cc1cc(I)c(O)c(/C=N/c2cc(C)c(C)cc2O)c1.
What is the InChIKey of 2-[(2-hydroxy-4,5-dimethylphenyl)iminomethyl]-6-iodo-4-methylphenol?
The InChIKey is YEYWNZFRYGVROT-QGMBQPNBSA-N. The full InChI is InChI=1S/C16H16INO2/c1-9-4-12(16(20)13(17)5-9)8-18-14-6-10(2)11(3)7-15(14)19/h4-8,19-20H,1-3H3/b18-8+.
What are the key properties of 2-[(2-hydroxy-4,5-dimethylphenyl)iminomethyl]-6-iodo-4-methylphenol?
2-[(2-hydroxy-4,5-dimethylphenyl)iminomethyl]-6-iodo-4-methylphenol has a molecular weight of 381.21 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4,5-dimethylphenyl)iminomethyl]-6-iodo-4-methylphenol is sourced from PubChem (CID 171980248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).