1-[(4-iodophenyl)iminomethyl]naphthalen-2-ol

C17H12INO — CID 1083504

IUPAC1-[(4-iodophenyl)iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1ccc(I)cc1
InChIInChI=1S/C17H12INO/c18-13-6-8-14(9-7-13)19-11-16-15-4-2-1-3-12(15)5-10-17(16)20/h1-11,20H/b19-11+
InChIKeyRUIMFQJQZHKUCC-YBFXNURJSA-N
MW373.19 g/mol
LogP4.90
Rot. Bonds2

About 1-[(4-iodophenyl)iminomethyl]naphthalen-2-ol

1-[(4-iodophenyl)iminomethyl]naphthalen-2-ol (PubChem CID 1083504) has the molecular formula C17H12INO and a molecular weight of 373.19 g/mol. Its IUPAC name is 1-[(4-iodophenyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(4-iodophenyl)iminomethyl]naphthalen-2-ol
PubChem CID1083504
Molecular FormulaC17H12INO
Molecular Weight373.19 g/mol
Exact Mass373.00
IUPAC Name1-[(4-iodophenyl)iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1ccc(I)cc1
InChIInChI=1S/C17H12INO/c18-13-6-8-14(9-7-13)19-11-16-15-4-2-1-3-12(15)5-10-17(16)20/h1-11,20H/b19-11+
InChIKeyRUIMFQJQZHKUCC-YBFXNURJSA-N
XLogP4.90
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.19
LogP ≤ 54.90
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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Frequently Asked Questions

What is the IUPAC name of 1-[(4-iodophenyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(4-iodophenyl)iminomethyl]naphthalen-2-ol (CID 1083504) is 1-[(4-iodophenyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(4-iodophenyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(4-iodophenyl)iminomethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/c1ccc(I)cc1.
What is the InChIKey of 1-[(4-iodophenyl)iminomethyl]naphthalen-2-ol?
The InChIKey is RUIMFQJQZHKUCC-YBFXNURJSA-N. The full InChI is InChI=1S/C17H12INO/c18-13-6-8-14(9-7-13)19-11-16-15-4-2-1-3-12(15)5-10-17(16)20/h1-11,20H/b19-11+.
What are the key properties of 1-[(4-iodophenyl)iminomethyl]naphthalen-2-ol?
1-[(4-iodophenyl)iminomethyl]naphthalen-2-ol has a molecular weight of 373.19 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-iodophenyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 1083504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).