2-iodo-2-phosphatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene

C11H8IP — CID 175197676

IUPAC2-iodo-2-phosphatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
SMILESIP1Cc2cccc3cccc1c23
InChIInChI=1S/C11H8IP/c12-13-7-9-5-1-3-8-4-2-6-10(13)11(8)9/h1-6H,7H2
InChIKeyXZUSSFSITQNHRN-UHFFFAOYSA-N
MW298.06 g/mol
LogP3.81
Rot. Bonds

About 2-iodo-2-phosphatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene

2-iodo-2-phosphatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene (PubChem CID 175197676) has the molecular formula C11H8IP and a molecular weight of 298.06 g/mol. Its IUPAC name is 2-iodo-2-phosphatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene.

Molecular Properties

Compound Name2-iodo-2-phosphatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
PubChem CID175197676
Molecular FormulaC11H8IP
Molecular Weight298.06 g/mol
Exact Mass297.94
IUPAC Name2-iodo-2-phosphatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
SMILESIP1Cc2cccc3cccc1c23
InChIInChI=1S/C11H8IP/c12-13-7-9-5-1-3-8-4-2-6-10(13)11(8)9/h1-6H,7H2
InChIKeyXZUSSFSITQNHRN-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.06
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-2-phosphatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene?
The IUPAC name of 2-iodo-2-phosphatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene (CID 175197676) is 2-iodo-2-phosphatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene.
What is the SMILES notation for 2-iodo-2-phosphatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene?
The canonical SMILES for 2-iodo-2-phosphatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene is IP1Cc2cccc3cccc1c23.
What is the InChIKey of 2-iodo-2-phosphatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene?
The InChIKey is XZUSSFSITQNHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8IP/c12-13-7-9-5-1-3-8-4-2-6-10(13)11(8)9/h1-6H,7H2.
What are the key properties of 2-iodo-2-phosphatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene?
2-iodo-2-phosphatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene has a molecular weight of 298.06 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-2-phosphatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene is sourced from PubChem (CID 175197676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).