1-(2-phenyl-iodoniacycloprop-2-yl)naphthalen-2-ol

C18H14IO+ — CID 134843511

IUPAC1-(2-phenyl-iodoniacycloprop-2-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C1(c2ccccc2)C[I+]1
InChIInChI=1S/C18H13IO/c20-16-11-10-13-6-4-5-9-15(13)17(16)18(12-19-18)14-7-2-1-3-8-14/h1-11H,12H2/p+1
InChIKeyJASJQONGGBJZPK-UHFFFAOYSA-O
MW373.21 g/mol
LogP0.89
Rot. Bonds2

About 1-(2-phenyl-iodoniacycloprop-2-yl)naphthalen-2-ol

1-(2-phenyl-iodoniacycloprop-2-yl)naphthalen-2-ol (PubChem CID 134843511) has the molecular formula C18H14IO+ and a molecular weight of 373.21 g/mol. Its IUPAC name is 1-(2-phenyl-iodoniacycloprop-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2-phenyl-iodoniacycloprop-2-yl)naphthalen-2-ol
PubChem CID134843511
Molecular FormulaC18H14IO+
Molecular Weight373.21 g/mol
Exact Mass373.01
IUPAC Name1-(2-phenyl-iodoniacycloprop-2-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C1(c2ccccc2)C[I+]1
InChIInChI=1S/C18H13IO/c20-16-11-10-13-6-4-5-9-15(13)17(16)18(12-19-18)14-7-2-1-3-8-14/h1-11H,12H2/p+1
InChIKeyJASJQONGGBJZPK-UHFFFAOYSA-O
XLogP0.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-iodoniacycloprop-2-yl)naphthalen-2-ol?
The IUPAC name of 1-(2-phenyl-iodoniacycloprop-2-yl)naphthalen-2-ol (CID 134843511) is 1-(2-phenyl-iodoniacycloprop-2-yl)naphthalen-2-ol.
What is the SMILES notation for 1-(2-phenyl-iodoniacycloprop-2-yl)naphthalen-2-ol?
The canonical SMILES for 1-(2-phenyl-iodoniacycloprop-2-yl)naphthalen-2-ol is Oc1ccc2ccccc2c1C1(c2ccccc2)C[I+]1.
What is the InChIKey of 1-(2-phenyl-iodoniacycloprop-2-yl)naphthalen-2-ol?
The InChIKey is JASJQONGGBJZPK-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H13IO/c20-16-11-10-13-6-4-5-9-15(13)17(16)18(12-19-18)14-7-2-1-3-8-14/h1-11H,12H2/p+1.
What are the key properties of 1-(2-phenyl-iodoniacycloprop-2-yl)naphthalen-2-ol?
1-(2-phenyl-iodoniacycloprop-2-yl)naphthalen-2-ol has a molecular weight of 373.21 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-iodoniacycloprop-2-yl)naphthalen-2-ol is sourced from PubChem (CID 134843511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).