[4-(2-iodopropan-2-yl)phenyl] cyanate

C10H10INO — CID 22366909

IUPAC[4-(2-iodopropan-2-yl)phenyl] cyanate
SMILESCC(C)(I)c1ccc(OC#N)cc1
InChIInChI=1S/C10H10INO/c1-10(2,11)8-3-5-9(6-4-8)13-7-12/h3-6H,1-2H3
InChIKeyJJFGQCHWBOZITD-UHFFFAOYSA-N
MW287.10 g/mol
LogP3.22
Rot. Bonds2

About [4-(2-iodopropan-2-yl)phenyl] cyanate

[4-(2-iodopropan-2-yl)phenyl] cyanate (PubChem CID 22366909) has the molecular formula C10H10INO and a molecular weight of 287.10 g/mol. Its IUPAC name is [4-(2-iodopropan-2-yl)phenyl] cyanate.

Molecular Properties

Compound Name[4-(2-iodopropan-2-yl)phenyl] cyanate
PubChem CID22366909
Molecular FormulaC10H10INO
Molecular Weight287.10 g/mol
Exact Mass286.98
IUPAC Name[4-(2-iodopropan-2-yl)phenyl] cyanate
SMILESCC(C)(I)c1ccc(OC#N)cc1
InChIInChI=1S/C10H10INO/c1-10(2,11)8-3-5-9(6-4-8)13-7-12/h3-6H,1-2H3
InChIKeyJJFGQCHWBOZITD-UHFFFAOYSA-N
XLogP3.22
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2-iodopropan-2-yl)phenyl] cyanate?
The IUPAC name of [4-(2-iodopropan-2-yl)phenyl] cyanate (CID 22366909) is [4-(2-iodopropan-2-yl)phenyl] cyanate.
What is the SMILES notation for [4-(2-iodopropan-2-yl)phenyl] cyanate?
The canonical SMILES for [4-(2-iodopropan-2-yl)phenyl] cyanate is CC(C)(I)c1ccc(OC#N)cc1.
What is the InChIKey of [4-(2-iodopropan-2-yl)phenyl] cyanate?
The InChIKey is JJFGQCHWBOZITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO/c1-10(2,11)8-3-5-9(6-4-8)13-7-12/h3-6H,1-2H3.
What are the key properties of [4-(2-iodopropan-2-yl)phenyl] cyanate?
[4-(2-iodopropan-2-yl)phenyl] cyanate has a molecular weight of 287.10 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-iodopropan-2-yl)phenyl] cyanate is sourced from PubChem (CID 22366909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).