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'}

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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).