6-bromo-2-(3-iodophenyl)-2,3-dihydrochromen-4-one

C15H10BrIO2 — CID 114283242

IUPAC6-bromo-2-(3-iodophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cccc(I)c2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H10BrIO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-7,15H,8H2
InChIKeyFTFIWCKDHGRZCF-UHFFFAOYSA-N
MW429.05 g/mol
LogP4.76
Rot. Bonds1

About 6-bromo-2-(3-iodophenyl)-2,3-dihydrochromen-4-one

6-bromo-2-(3-iodophenyl)-2,3-dihydrochromen-4-one (PubChem CID 114283242) has the molecular formula C15H10BrIO2 and a molecular weight of 429.05 g/mol. Its IUPAC name is 6-bromo-2-(3-iodophenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-bromo-2-(3-iodophenyl)-2,3-dihydrochromen-4-one
PubChem CID114283242
Molecular FormulaC15H10BrIO2
Molecular Weight429.05 g/mol
Exact Mass427.89
IUPAC Name6-bromo-2-(3-iodophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cccc(I)c2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H10BrIO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-7,15H,8H2
InChIKeyFTFIWCKDHGRZCF-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.05
LogP ≤ 54.76
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-bromo-2-(3-iodophenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-bromo-2-(3-iodophenyl)-2,3-dihydrochromen-4-one (CID 114283242) is 6-bromo-2-(3-iodophenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-bromo-2-(3-iodophenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-bromo-2-(3-iodophenyl)-2,3-dihydrochromen-4-one is O=C1CC(c2cccc(I)c2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(3-iodophenyl)-2,3-dihydrochromen-4-one?
The InChIKey is FTFIWCKDHGRZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrIO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-7,15H,8H2.
What are the key properties of 6-bromo-2-(3-iodophenyl)-2,3-dihydrochromen-4-one?
6-bromo-2-(3-iodophenyl)-2,3-dihydrochromen-4-one has a molecular weight of 429.05 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-iodophenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114283242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).