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

C9H6BrClO2 — CID 12831966

IUPAC6-bromo-8-chloro-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2c(Cl)cc(Br)cc21
InChIInChI=1S/C9H6BrClO2/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5/h3-4H,1-2H2
InChIKeyUEJCJIOQDWYWQY-UHFFFAOYSA-N
MW261.50 g/mol
LogP3.07
Rot. Bonds

About 6-bromo-8-chloro-2,3-dihydrochromen-4-one

6-bromo-8-chloro-2,3-dihydrochromen-4-one (PubChem CID 12831966) has the molecular formula C9H6BrClO2 and a molecular weight of 261.50 g/mol. Its IUPAC name is 6-bromo-8-chloro-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-bromo-8-chloro-2,3-dihydrochromen-4-one
PubChem CID12831966
Molecular FormulaC9H6BrClO2
Molecular Weight261.50 g/mol
Exact Mass259.92
IUPAC Name6-bromo-8-chloro-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2c(Cl)cc(Br)cc21
InChIInChI=1S/C9H6BrClO2/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5/h3-4H,1-2H2
InChIKeyUEJCJIOQDWYWQY-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.50
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-2,3-dihydrochromen-4-one?
The IUPAC name of 6-bromo-8-chloro-2,3-dihydrochromen-4-one (CID 12831966) is 6-bromo-8-chloro-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-bromo-8-chloro-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-bromo-8-chloro-2,3-dihydrochromen-4-one is O=C1CCOc2c(Cl)cc(Br)cc21.
What is the InChIKey of 6-bromo-8-chloro-2,3-dihydrochromen-4-one?
The InChIKey is UEJCJIOQDWYWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClO2/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5/h3-4H,1-2H2.
What are the key properties of 6-bromo-8-chloro-2,3-dihydrochromen-4-one?
6-bromo-8-chloro-2,3-dihydrochromen-4-one has a molecular weight of 261.50 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-2,3-dihydrochromen-4-one is sourced from PubChem (CID 12831966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).