8-iodo-2-methyl-2,3-dihydrochromen-4-one

C10H9IO2 — CID 43536448

IUPAC8-iodo-2-methyl-2,3-dihydrochromen-4-one
SMILESCC1CC(=O)c2cccc(I)c2O1
InChIInChI=1S/C10H9IO2/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-4,6H,5H2,1H3
InChIKeyHHZOBXXBGRLNRR-UHFFFAOYSA-N
MW288.08 g/mol
LogP2.64
Rot. Bonds

About 8-iodo-2-methyl-2,3-dihydrochromen-4-one

8-iodo-2-methyl-2,3-dihydrochromen-4-one (PubChem CID 43536448) has the molecular formula C10H9IO2 and a molecular weight of 288.08 g/mol. Its IUPAC name is 8-iodo-2-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name8-iodo-2-methyl-2,3-dihydrochromen-4-one
PubChem CID43536448
Molecular FormulaC10H9IO2
Molecular Weight288.08 g/mol
Exact Mass287.96
IUPAC Name8-iodo-2-methyl-2,3-dihydrochromen-4-one
SMILESCC1CC(=O)c2cccc(I)c2O1
InChIInChI=1S/C10H9IO2/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-4,6H,5H2,1H3
InChIKeyHHZOBXXBGRLNRR-UHFFFAOYSA-N
XLogP2.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.08
LogP ≤ 52.64
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 8-iodo-2-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 8-iodo-2-methyl-2,3-dihydrochromen-4-one (CID 43536448) is 8-iodo-2-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 8-iodo-2-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 8-iodo-2-methyl-2,3-dihydrochromen-4-one is CC1CC(=O)c2cccc(I)c2O1.
What is the InChIKey of 8-iodo-2-methyl-2,3-dihydrochromen-4-one?
The InChIKey is HHZOBXXBGRLNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IO2/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-4,6H,5H2,1H3.
What are the key properties of 8-iodo-2-methyl-2,3-dihydrochromen-4-one?
8-iodo-2-methyl-2,3-dihydrochromen-4-one has a molecular weight of 288.08 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-2-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 43536448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).