10-iodophenoxazine

C12H8INO — CID 89024147

IUPAC10-iodophenoxazine
SMILESIN1c2ccccc2Oc2ccccc21
InChIInChI=1S/C12H8INO/c13-14-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H
InChIKeyHYCDVNWYQRBNBO-UHFFFAOYSA-N
MW309.11 g/mol
LogP4.28
Rot. Bonds

About 10-iodophenoxazine

10-iodophenoxazine (PubChem CID 89024147) has the molecular formula C12H8INO and a molecular weight of 309.11 g/mol. Its IUPAC name is 10-iodophenoxazine.

Molecular Properties

Compound Name10-iodophenoxazine
PubChem CID89024147
Molecular FormulaC12H8INO
Molecular Weight309.11 g/mol
Exact Mass308.97
IUPAC Name10-iodophenoxazine
SMILESIN1c2ccccc2Oc2ccccc21
InChIInChI=1S/C12H8INO/c13-14-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H
InChIKeyHYCDVNWYQRBNBO-UHFFFAOYSA-N
XLogP4.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-iodophenoxazine?
The IUPAC name of 10-iodophenoxazine (CID 89024147) is 10-iodophenoxazine.
What is the SMILES notation for 10-iodophenoxazine?
The canonical SMILES for 10-iodophenoxazine is IN1c2ccccc2Oc2ccccc21.
What is the InChIKey of 10-iodophenoxazine?
The InChIKey is HYCDVNWYQRBNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8INO/c13-14-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H.
What are the key properties of 10-iodophenoxazine?
10-iodophenoxazine has a molecular weight of 309.11 g/mol, XLogP of 4.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-iodophenoxazine is sourced from PubChem (CID 89024147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).