2-(2-iodophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine

C18H14INO — CID 615816

IUPAC2-(2-iodophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine
SMILESIc1ccccc1N1COc2ccc3ccccc3c2C1
InChIInChI=1S/C18H14INO/c19-16-7-3-4-8-17(16)20-11-15-14-6-2-1-5-13(14)9-10-18(15)21-12-20/h1-10H,11-12H2
InChIKeyIAYPBPHLTYPYRH-UHFFFAOYSA-N
MW387.22 g/mol
LogP4.80
Rot. Bonds1

About 2-(2-iodophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine

2-(2-iodophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine (PubChem CID 615816) has the molecular formula C18H14INO and a molecular weight of 387.22 g/mol. Its IUPAC name is 2-(2-iodophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine.

Molecular Properties

Compound Name2-(2-iodophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine
PubChem CID615816
Molecular FormulaC18H14INO
Molecular Weight387.22 g/mol
Exact Mass387.01
IUPAC Name2-(2-iodophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine
SMILESIc1ccccc1N1COc2ccc3ccccc3c2C1
InChIInChI=1S/C18H14INO/c19-16-7-3-4-8-17(16)20-11-15-14-6-2-1-5-13(14)9-10-18(15)21-12-20/h1-10H,11-12H2
InChIKeyIAYPBPHLTYPYRH-UHFFFAOYSA-N
XLogP4.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-iodophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine?
The IUPAC name of 2-(2-iodophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine (CID 615816) is 2-(2-iodophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine.
What is the SMILES notation for 2-(2-iodophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine?
The canonical SMILES for 2-(2-iodophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine is Ic1ccccc1N1COc2ccc3ccccc3c2C1.
What is the InChIKey of 2-(2-iodophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine?
The InChIKey is IAYPBPHLTYPYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14INO/c19-16-7-3-4-8-17(16)20-11-15-14-6-2-1-5-13(14)9-10-18(15)21-12-20/h1-10H,11-12H2.
What are the key properties of 2-(2-iodophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine?
2-(2-iodophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine has a molecular weight of 387.22 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine is sourced from PubChem (CID 615816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).