8-bromo-2,3-dihydrochromen-4-one

C9H7BrO2 — CID 21073935

IUPAC8-bromo-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2c(Br)cccc21
InChIInChI=1S/C9H7BrO2/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3H,4-5H2
InChIKeyRDFCRUZREBSOGO-UHFFFAOYSA-N
MW227.06 g/mol
LogP2.41
Rot. Bonds

About 8-bromo-2,3-dihydrochromen-4-one

8-bromo-2,3-dihydrochromen-4-one (PubChem CID 21073935) has the molecular formula C9H7BrO2 and a molecular weight of 227.06 g/mol. Its IUPAC name is 8-bromo-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name8-bromo-2,3-dihydrochromen-4-one
PubChem CID21073935
Molecular FormulaC9H7BrO2
Molecular Weight227.06 g/mol
Exact Mass225.96
IUPAC Name8-bromo-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2c(Br)cccc21
InChIInChI=1S/C9H7BrO2/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3H,4-5H2
InChIKeyRDFCRUZREBSOGO-UHFFFAOYSA-N
XLogP2.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,3-dihydrochromen-4-one?
The IUPAC name of 8-bromo-2,3-dihydrochromen-4-one (CID 21073935) is 8-bromo-2,3-dihydrochromen-4-one.
What is the SMILES notation for 8-bromo-2,3-dihydrochromen-4-one?
The canonical SMILES for 8-bromo-2,3-dihydrochromen-4-one is O=C1CCOc2c(Br)cccc21.
What is the InChIKey of 8-bromo-2,3-dihydrochromen-4-one?
The InChIKey is RDFCRUZREBSOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO2/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3H,4-5H2.
What are the key properties of 8-bromo-2,3-dihydrochromen-4-one?
8-bromo-2,3-dihydrochromen-4-one has a molecular weight of 227.06 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,3-dihydrochromen-4-one is sourced from PubChem (CID 21073935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).