8-bromo-6-chloro-2,2-dimethyl-3H-chromen-4-one

C11H10BrClO2 — CID 64698086

IUPAC8-bromo-6-chloro-2,2-dimethyl-3H-chromen-4-one
SMILESCC1(C)CC(=O)c2cc(Cl)cc(Br)c2O1
InChIInChI=1S/C11H10BrClO2/c1-11(2)5-9(14)7-3-6(13)4-8(12)10(7)15-11/h3-4H,5H2,1-2H3
InChIKeyAHYKSFPENAUKNA-UHFFFAOYSA-N
MW289.56 g/mol
LogP3.85
Rot. Bonds

About 8-bromo-6-chloro-2,2-dimethyl-3H-chromen-4-one

8-bromo-6-chloro-2,2-dimethyl-3H-chromen-4-one (PubChem CID 64698086) has the molecular formula C11H10BrClO2 and a molecular weight of 289.56 g/mol. Its IUPAC name is 8-bromo-6-chloro-2,2-dimethyl-3H-chromen-4-one.

Molecular Properties

Compound Name8-bromo-6-chloro-2,2-dimethyl-3H-chromen-4-one
PubChem CID64698086
Molecular FormulaC11H10BrClO2
Molecular Weight289.56 g/mol
Exact Mass287.96
IUPAC Name8-bromo-6-chloro-2,2-dimethyl-3H-chromen-4-one
SMILESCC1(C)CC(=O)c2cc(Cl)cc(Br)c2O1
InChIInChI=1S/C11H10BrClO2/c1-11(2)5-9(14)7-3-6(13)4-8(12)10(7)15-11/h3-4H,5H2,1-2H3
InChIKeyAHYKSFPENAUKNA-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.56
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-2,2-dimethyl-3H-chromen-4-one?
The IUPAC name of 8-bromo-6-chloro-2,2-dimethyl-3H-chromen-4-one (CID 64698086) is 8-bromo-6-chloro-2,2-dimethyl-3H-chromen-4-one.
What is the SMILES notation for 8-bromo-6-chloro-2,2-dimethyl-3H-chromen-4-one?
The canonical SMILES for 8-bromo-6-chloro-2,2-dimethyl-3H-chromen-4-one is CC1(C)CC(=O)c2cc(Cl)cc(Br)c2O1.
What is the InChIKey of 8-bromo-6-chloro-2,2-dimethyl-3H-chromen-4-one?
The InChIKey is AHYKSFPENAUKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClO2/c1-11(2)5-9(14)7-3-6(13)4-8(12)10(7)15-11/h3-4H,5H2,1-2H3.
What are the key properties of 8-bromo-6-chloro-2,2-dimethyl-3H-chromen-4-one?
8-bromo-6-chloro-2,2-dimethyl-3H-chromen-4-one has a molecular weight of 289.56 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-2,2-dimethyl-3H-chromen-4-one is sourced from PubChem (CID 64698086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).