6-bromo-2-ethenyl-2,3-dihydrochromen-4-one

C11H9BrO2 — CID 11736884

IUPAC6-bromo-2-ethenyl-2,3-dihydrochromen-4-one
SMILESC=CC1CC(=O)c2cc(Br)ccc2O1
InChIInChI=1S/C11H9BrO2/c1-2-8-6-10(13)9-5-7(12)3-4-11(9)14-8/h2-5,8H,1,6H2
InChIKeyQJQVPZKXUBYAPP-UHFFFAOYSA-N
MW253.09 g/mol
LogP2.97
Rot. Bonds1

About 6-bromo-2-ethenyl-2,3-dihydrochromen-4-one

6-bromo-2-ethenyl-2,3-dihydrochromen-4-one (PubChem CID 11736884) has the molecular formula C11H9BrO2 and a molecular weight of 253.09 g/mol. Its IUPAC name is 6-bromo-2-ethenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-bromo-2-ethenyl-2,3-dihydrochromen-4-one
PubChem CID11736884
Molecular FormulaC11H9BrO2
Molecular Weight253.09 g/mol
Exact Mass251.98
IUPAC Name6-bromo-2-ethenyl-2,3-dihydrochromen-4-one
SMILESC=CC1CC(=O)c2cc(Br)ccc2O1
InChIInChI=1S/C11H9BrO2/c1-2-8-6-10(13)9-5-7(12)3-4-11(9)14-8/h2-5,8H,1,6H2
InChIKeyQJQVPZKXUBYAPP-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-bromo-2-ethenyl-2,3-dihydrochromen-4-one (CID 11736884) is 6-bromo-2-ethenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-bromo-2-ethenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-bromo-2-ethenyl-2,3-dihydrochromen-4-one is C=CC1CC(=O)c2cc(Br)ccc2O1.
What is the InChIKey of 6-bromo-2-ethenyl-2,3-dihydrochromen-4-one?
The InChIKey is QJQVPZKXUBYAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO2/c1-2-8-6-10(13)9-5-7(12)3-4-11(9)14-8/h2-5,8H,1,6H2.
What are the key properties of 6-bromo-2-ethenyl-2,3-dihydrochromen-4-one?
6-bromo-2-ethenyl-2,3-dihydrochromen-4-one has a molecular weight of 253.09 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 11736884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).