(2-cyano-6-propan-2-ylphenyl) hypoiodite

C10H10INO — CID 154930427

IUPAC(2-cyano-6-propan-2-ylphenyl) hypoiodite
SMILESCC(C)c1cccc(C#N)c1OI
InChIInChI=1S/C10H10INO/c1-7(2)9-5-3-4-8(6-12)10(9)13-11/h3-5,7H,1-2H3
InChIKeyRBTKVRMINJHJTH-UHFFFAOYSA-N
MW287.10 g/mol
LogP3.41
Rot. Bonds2

About (2-cyano-6-propan-2-ylphenyl) hypoiodite

(2-cyano-6-propan-2-ylphenyl) hypoiodite (PubChem CID 154930427) has the molecular formula C10H10INO and a molecular weight of 287.10 g/mol. Its IUPAC name is (2-cyano-6-propan-2-ylphenyl) hypoiodite.

Molecular Properties

Compound Name(2-cyano-6-propan-2-ylphenyl) hypoiodite
PubChem CID154930427
Molecular FormulaC10H10INO
Molecular Weight287.10 g/mol
Exact Mass286.98
IUPAC Name(2-cyano-6-propan-2-ylphenyl) hypoiodite
SMILESCC(C)c1cccc(C#N)c1OI
InChIInChI=1S/C10H10INO/c1-7(2)9-5-3-4-8(6-12)10(9)13-11/h3-5,7H,1-2H3
InChIKeyRBTKVRMINJHJTH-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-cyano-6-propan-2-ylphenyl) methyl carbonate
CID 134168255
ethane;bis(2-propan-2-ylbenzonitrile)
CID 67297775
2-bromo-3-propan-2-ylbenzonitrile
CID 131568645
2-ethoxybenzene-1,3-dicarbonitrile
CID 23083446
2-cyano-6-propan-2-ylbenzoic acid
CID 131220096
2-[(2-propan-2-ylphenoxy)methyl]benzonitrile
CID 22688243
(2-cyanophenyl) hypoiodite
CID 154315791
[2,6-di(propan-2-yl)phenyl] formate
CID 54331720
2,8-di(propan-2-yl)quinoline-4-carbonitrile
CID 82448066
4,5-di(propan-2-yl)benzene-1,2-dicarbonitrile
CID 122607615
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
2-methoxy-6-propan-2-ylbenzonitrile
CID 59589303

Frequently Asked Questions

What is the IUPAC name of (2-cyano-6-propan-2-ylphenyl) hypoiodite?
The IUPAC name of (2-cyano-6-propan-2-ylphenyl) hypoiodite (CID 154930427) is (2-cyano-6-propan-2-ylphenyl) hypoiodite.
What is the SMILES notation for (2-cyano-6-propan-2-ylphenyl) hypoiodite?
The canonical SMILES for (2-cyano-6-propan-2-ylphenyl) hypoiodite is CC(C)c1cccc(C#N)c1OI.
What is the InChIKey of (2-cyano-6-propan-2-ylphenyl) hypoiodite?
The InChIKey is RBTKVRMINJHJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO/c1-7(2)9-5-3-4-8(6-12)10(9)13-11/h3-5,7H,1-2H3.
What are the key properties of (2-cyano-6-propan-2-ylphenyl) hypoiodite?
(2-cyano-6-propan-2-ylphenyl) hypoiodite has a molecular weight of 287.10 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyano-6-propan-2-ylphenyl) hypoiodite is sourced from PubChem (CID 154930427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).