3-iodo-6,8-dimethoxychromen-4-one

C11H9IO4 — CID 130131544

IUPAC3-iodo-6,8-dimethoxychromen-4-one
SMILESCOc1cc(OC)c2occ(I)c(=O)c2c1
InChIInChI=1S/C11H9IO4/c1-14-6-3-7-10(13)8(12)5-16-11(7)9(4-6)15-2/h3-5H,1-2H3
InChIKeyCVWJYAKVANMGMI-UHFFFAOYSA-N
MW332.09 g/mol
LogP2.41
Rot. Bonds2

About 3-iodo-6,8-dimethoxychromen-4-one

3-iodo-6,8-dimethoxychromen-4-one (PubChem CID 130131544) has the molecular formula C11H9IO4 and a molecular weight of 332.09 g/mol. Its IUPAC name is 3-iodo-6,8-dimethoxychromen-4-one.

Molecular Properties

Compound Name3-iodo-6,8-dimethoxychromen-4-one
PubChem CID130131544
Molecular FormulaC11H9IO4
Molecular Weight332.09 g/mol
Exact Mass331.95
IUPAC Name3-iodo-6,8-dimethoxychromen-4-one
SMILESCOc1cc(OC)c2occ(I)c(=O)c2c1
InChIInChI=1S/C11H9IO4/c1-14-6-3-7-10(13)8(12)5-16-11(7)9(4-6)15-2/h3-5H,1-2H3
InChIKeyCVWJYAKVANMGMI-UHFFFAOYSA-N
XLogP2.41
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.09
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-6,8-dimethoxychromen-4-one?
The IUPAC name of 3-iodo-6,8-dimethoxychromen-4-one (CID 130131544) is 3-iodo-6,8-dimethoxychromen-4-one.
What is the SMILES notation for 3-iodo-6,8-dimethoxychromen-4-one?
The canonical SMILES for 3-iodo-6,8-dimethoxychromen-4-one is COc1cc(OC)c2occ(I)c(=O)c2c1.
What is the InChIKey of 3-iodo-6,8-dimethoxychromen-4-one?
The InChIKey is CVWJYAKVANMGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IO4/c1-14-6-3-7-10(13)8(12)5-16-11(7)9(4-6)15-2/h3-5H,1-2H3.
What are the key properties of 3-iodo-6,8-dimethoxychromen-4-one?
3-iodo-6,8-dimethoxychromen-4-one has a molecular weight of 332.09 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6,8-dimethoxychromen-4-one is sourced from PubChem (CID 130131544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).