3-(2,2-diiodoethoxy)chromen-2-one

C11H8I2O3 — CID 54237497

IUPAC3-(2,2-diiodoethoxy)chromen-2-one
SMILESO=c1oc2ccccc2cc1OCC(I)I
InChIInChI=1S/C11H8I2O3/c12-10(13)6-15-9-5-7-3-1-2-4-8(7)16-11(9)14/h1-5,10H,6H2
InChIKeyQNPFDHFBPOLRHS-UHFFFAOYSA-N
MW441.99 g/mol
LogP3.37
Rot. Bonds3

About 3-(2,2-diiodoethoxy)chromen-2-one

3-(2,2-diiodoethoxy)chromen-2-one (PubChem CID 54237497) has the molecular formula C11H8I2O3 and a molecular weight of 441.99 g/mol. Its IUPAC name is 3-(2,2-diiodoethoxy)chromen-2-one.

Molecular Properties

Compound Name3-(2,2-diiodoethoxy)chromen-2-one
PubChem CID54237497
Molecular FormulaC11H8I2O3
Molecular Weight441.99 g/mol
Exact Mass441.86
IUPAC Name3-(2,2-diiodoethoxy)chromen-2-one
SMILESO=c1oc2ccccc2cc1OCC(I)I
InChIInChI=1S/C11H8I2O3/c12-10(13)6-15-9-5-7-3-1-2-4-8(7)16-11(9)14/h1-5,10H,6H2
InChIKeyQNPFDHFBPOLRHS-UHFFFAOYSA-N
XLogP3.37
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.99
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one
CID 146169932
3-(2-chloroethoxy)chromen-2-one
CID 141445941
3-[(2-bromophenyl)methoxy]chromen-2-one
CID 11484334
carbonic acid;(2-oxochromen-3-yl) acetate
CID 87637684
3-(1-bromopropan-2-yloxy)chromen-2-one
CID 141445966
3-[2-(4-fluorophenyl)-2-oxoethoxy]chromen-2-one
CID 127042745
3-[3-[benzyl(methyl)amino]propoxy]chromen-2-one
CID 71508422
(2-oxochromen-3-yl) 2-[4-(2-methylpropyl)phenyl]propanoate
CID 141062878
2-[2-(2-oxochromen-3-yl)oxyethyl]tetradecanenitrile
CID 20515414
3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one
CID 53484007
3-(oxolan-2-yloxy)chromen-2-one
CID 132524996
3-(trichloromethyl)chromen-2-one
CID 90255631

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diiodoethoxy)chromen-2-one?
The IUPAC name of 3-(2,2-diiodoethoxy)chromen-2-one (CID 54237497) is 3-(2,2-diiodoethoxy)chromen-2-one.
What is the SMILES notation for 3-(2,2-diiodoethoxy)chromen-2-one?
The canonical SMILES for 3-(2,2-diiodoethoxy)chromen-2-one is O=c1oc2ccccc2cc1OCC(I)I.
What is the InChIKey of 3-(2,2-diiodoethoxy)chromen-2-one?
The InChIKey is QNPFDHFBPOLRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8I2O3/c12-10(13)6-15-9-5-7-3-1-2-4-8(7)16-11(9)14/h1-5,10H,6H2.
What are the key properties of 3-(2,2-diiodoethoxy)chromen-2-one?
3-(2,2-diiodoethoxy)chromen-2-one has a molecular weight of 441.99 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diiodoethoxy)chromen-2-one is sourced from PubChem (CID 54237497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).