2-[(2-hydroxy-5-phenylphenyl)iminomethyl]-4,6-diiodophenol

C19H13I2NO2 — CID 3915695

IUPAC2-[(2-hydroxy-5-phenylphenyl)iminomethyl]-4,6-diiodophenol
SMILESOc1ccc(-c2ccccc2)cc1/N=C/c1cc(I)cc(I)c1O
InChIInChI=1S/C19H13I2NO2/c20-15-8-14(19(24)16(21)10-15)11-22-17-9-13(6-7-18(17)23)12-4-2-1-3-5-12/h1-11,23-24H/b22-11+
InChIKeySDFPITRRLRXYHA-SSDVNMTOSA-N
MW541.13 g/mol
LogP5.72
Rot. Bonds3

About 2-[(2-hydroxy-5-phenylphenyl)iminomethyl]-4,6-diiodophenol

2-[(2-hydroxy-5-phenylphenyl)iminomethyl]-4,6-diiodophenol (PubChem CID 3915695) has the molecular formula C19H13I2NO2 and a molecular weight of 541.13 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-phenylphenyl)iminomethyl]-4,6-diiodophenol.

Molecular Properties

Compound Name2-[(2-hydroxy-5-phenylphenyl)iminomethyl]-4,6-diiodophenol
PubChem CID3915695
Molecular FormulaC19H13I2NO2
Molecular Weight541.13 g/mol
Exact Mass540.90
IUPAC Name2-[(2-hydroxy-5-phenylphenyl)iminomethyl]-4,6-diiodophenol
SMILESOc1ccc(-c2ccccc2)cc1/N=C/c1cc(I)cc(I)c1O
InChIInChI=1S/C19H13I2NO2/c20-15-8-14(19(24)16(21)10-15)11-22-17-9-13(6-7-18(17)23)12-4-2-1-3-5-12/h1-11,23-24H/b22-11+
InChIKeySDFPITRRLRXYHA-SSDVNMTOSA-N
XLogP5.72
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.13
LogP ≤ 55.72
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'}

Analyze 2-[(2-hydroxy-5-phenylphenyl)iminomethyl]-4,6-diiodophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol
CID 5076612
2-[(2,4-dichlorophenyl)methylideneamino]-4-phenylphenol
CID 4059115
2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-4-phenylphenol
CID 135620021
2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol
CID 136912130
4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol
CID 137173243
2-[(4-anilinophenyl)iminomethyl]-4,6-diiodophenol
CID 171981187
2,4-diiodo-6-(pyridin-2-yliminomethyl)phenol
CID 3640337
2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol
CID 4092564
2,4-diiodo-6-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]phenol
CID 136744615
2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4,6-diiodophenol
CID 136678691
2-[(4-phenylphenyl)methylideneamino]phenol
CID 59227908
2-iodo-4-methyl-6-(phenyliminomethyl)phenol
CID 135988546

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-5-phenylphenyl)iminomethyl]-4,6-diiodophenol?
The IUPAC name of 2-[(2-hydroxy-5-phenylphenyl)iminomethyl]-4,6-diiodophenol (CID 3915695) is 2-[(2-hydroxy-5-phenylphenyl)iminomethyl]-4,6-diiodophenol.
What is the SMILES notation for 2-[(2-hydroxy-5-phenylphenyl)iminomethyl]-4,6-diiodophenol?
The canonical SMILES for 2-[(2-hydroxy-5-phenylphenyl)iminomethyl]-4,6-diiodophenol is Oc1ccc(-c2ccccc2)cc1/N=C/c1cc(I)cc(I)c1O.
What is the InChIKey of 2-[(2-hydroxy-5-phenylphenyl)iminomethyl]-4,6-diiodophenol?
The InChIKey is SDFPITRRLRXYHA-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H13I2NO2/c20-15-8-14(19(24)16(21)10-15)11-22-17-9-13(6-7-18(17)23)12-4-2-1-3-5-12/h1-11,23-24H/b22-11+.
What are the key properties of 2-[(2-hydroxy-5-phenylphenyl)iminomethyl]-4,6-diiodophenol?
2-[(2-hydroxy-5-phenylphenyl)iminomethyl]-4,6-diiodophenol has a molecular weight of 541.13 g/mol, XLogP of 5.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-5-phenylphenyl)iminomethyl]-4,6-diiodophenol is sourced from PubChem (CID 3915695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).