3-iodo-5-methoxychromen-4-one

C10H7IO3 — CID 11514968

IUPAC3-iodo-5-methoxychromen-4-one
SMILESCOc1cccc2occ(I)c(=O)c12
InChIInChI=1S/C10H7IO3/c1-13-7-3-2-4-8-9(7)10(12)6(11)5-14-8/h2-5H,1H3
InChIKeyRYDDDSRWAQSTJD-UHFFFAOYSA-N
MW302.07 g/mol
LogP2.41
Rot. Bonds1

About 3-iodo-5-methoxychromen-4-one

3-iodo-5-methoxychromen-4-one (PubChem CID 11514968) has the molecular formula C10H7IO3 and a molecular weight of 302.07 g/mol. Its IUPAC name is 3-iodo-5-methoxychromen-4-one.

Molecular Properties

Compound Name3-iodo-5-methoxychromen-4-one
PubChem CID11514968
Molecular FormulaC10H7IO3
Molecular Weight302.07 g/mol
Exact Mass301.94
IUPAC Name3-iodo-5-methoxychromen-4-one
SMILESCOc1cccc2occ(I)c(=O)c12
InChIInChI=1S/C10H7IO3/c1-13-7-3-2-4-8-9(7)10(12)6(11)5-14-8/h2-5H,1H3
InChIKeyRYDDDSRWAQSTJD-UHFFFAOYSA-N
XLogP2.41
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.07
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-5-methoxychromen-4-one?
The IUPAC name of 3-iodo-5-methoxychromen-4-one (CID 11514968) is 3-iodo-5-methoxychromen-4-one.
What is the SMILES notation for 3-iodo-5-methoxychromen-4-one?
The canonical SMILES for 3-iodo-5-methoxychromen-4-one is COc1cccc2occ(I)c(=O)c12.
What is the InChIKey of 3-iodo-5-methoxychromen-4-one?
The InChIKey is RYDDDSRWAQSTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IO3/c1-13-7-3-2-4-8-9(7)10(12)6(11)5-14-8/h2-5H,1H3.
What are the key properties of 3-iodo-5-methoxychromen-4-one?
3-iodo-5-methoxychromen-4-one has a molecular weight of 302.07 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-methoxychromen-4-one is sourced from PubChem (CID 11514968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).