6-iodo-2,3-dihydrochromen-4-one

C9H7IO2 — CID 3580262

IUPAC6-iodo-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2ccc(I)cc21
InChIInChI=1S/C9H7IO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2
InChIKeySDUOLEARZNZVAN-UHFFFAOYSA-N
MW274.06 g/mol
LogP2.26
Rot. Bonds

About 6-iodo-2,3-dihydrochromen-4-one

6-iodo-2,3-dihydrochromen-4-one (PubChem CID 3580262) has the molecular formula C9H7IO2 and a molecular weight of 274.06 g/mol. Its IUPAC name is 6-iodo-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-iodo-2,3-dihydrochromen-4-one
PubChem CID3580262
Molecular FormulaC9H7IO2
Molecular Weight274.06 g/mol
Exact Mass273.95
IUPAC Name6-iodo-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2ccc(I)cc21
InChIInChI=1S/C9H7IO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2
InChIKeySDUOLEARZNZVAN-UHFFFAOYSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-2,3-dihydrochromen-4-one?
The IUPAC name of 6-iodo-2,3-dihydrochromen-4-one (CID 3580262) is 6-iodo-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-iodo-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-iodo-2,3-dihydrochromen-4-one is O=C1CCOc2ccc(I)cc21.
What is the InChIKey of 6-iodo-2,3-dihydrochromen-4-one?
The InChIKey is SDUOLEARZNZVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2.
What are the key properties of 6-iodo-2,3-dihydrochromen-4-one?
6-iodo-2,3-dihydrochromen-4-one has a molecular weight of 274.06 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2,3-dihydrochromen-4-one is sourced from PubChem (CID 3580262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).