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

C15H10BrFO2 — CID 58424087

IUPAC6-bromo-2-(2-fluorophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccccc2F)Oc2ccc(Br)cc21
InChIInChI=1S/C15H10BrFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-7,15H,8H2
InChIKeyQVZUJYNMCIBAQE-UHFFFAOYSA-N
MW321.15 g/mol
LogP4.29
Rot. Bonds1

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

6-bromo-2-(2-fluorophenyl)-2,3-dihydrochromen-4-one (PubChem CID 58424087) has the molecular formula C15H10BrFO2 and a molecular weight of 321.15 g/mol. Its IUPAC name is 6-bromo-2-(2-fluorophenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-bromo-2-(2-fluorophenyl)-2,3-dihydrochromen-4-one
PubChem CID58424087
Molecular FormulaC15H10BrFO2
Molecular Weight321.15 g/mol
Exact Mass319.98
IUPAC Name6-bromo-2-(2-fluorophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccccc2F)Oc2ccc(Br)cc21
InChIInChI=1S/C15H10BrFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-7,15H,8H2
InChIKeyQVZUJYNMCIBAQE-UHFFFAOYSA-N
XLogP4.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-fluorophenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-bromo-2-(2-fluorophenyl)-2,3-dihydrochromen-4-one (CID 58424087) is 6-bromo-2-(2-fluorophenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-bromo-2-(2-fluorophenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-bromo-2-(2-fluorophenyl)-2,3-dihydrochromen-4-one is O=C1CC(c2ccccc2F)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(2-fluorophenyl)-2,3-dihydrochromen-4-one?
The InChIKey is QVZUJYNMCIBAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-7,15H,8H2.
What are the key properties of 6-bromo-2-(2-fluorophenyl)-2,3-dihydrochromen-4-one?
6-bromo-2-(2-fluorophenyl)-2,3-dihydrochromen-4-one has a molecular weight of 321.15 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-fluorophenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 58424087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).