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

C12H12BrClO2 — CID 42597366

IUPAC8-bromo-6-chloro-2-propan-2-yl-2,3-dihydrochromen-4-one
SMILESCC(C)C1CC(=O)c2cc(Cl)cc(Br)c2O1
InChIInChI=1S/C12H12BrClO2/c1-6(2)11-5-10(15)8-3-7(14)4-9(13)12(8)16-11/h3-4,6,11H,5H2,1-2H3
InChIKeyXLIBDKZTODTKJX-UHFFFAOYSA-N
MW303.58 g/mol
LogP4.09
Rot. Bonds1

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

8-bromo-6-chloro-2-propan-2-yl-2,3-dihydrochromen-4-one (PubChem CID 42597366) has the molecular formula C12H12BrClO2 and a molecular weight of 303.58 g/mol. Its IUPAC name is 8-bromo-6-chloro-2-propan-2-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name8-bromo-6-chloro-2-propan-2-yl-2,3-dihydrochromen-4-one
PubChem CID42597366
Molecular FormulaC12H12BrClO2
Molecular Weight303.58 g/mol
Exact Mass301.97
IUPAC Name8-bromo-6-chloro-2-propan-2-yl-2,3-dihydrochromen-4-one
SMILESCC(C)C1CC(=O)c2cc(Cl)cc(Br)c2O1
InChIInChI=1S/C12H12BrClO2/c1-6(2)11-5-10(15)8-3-7(14)4-9(13)12(8)16-11/h3-4,6,11H,5H2,1-2H3
InChIKeyXLIBDKZTODTKJX-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-bromo-6-chloro-2-propan-2-yl-2,3-dihydrochromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-2-propan-2-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 8-bromo-6-chloro-2-propan-2-yl-2,3-dihydrochromen-4-one (CID 42597366) is 8-bromo-6-chloro-2-propan-2-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 8-bromo-6-chloro-2-propan-2-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 8-bromo-6-chloro-2-propan-2-yl-2,3-dihydrochromen-4-one is CC(C)C1CC(=O)c2cc(Cl)cc(Br)c2O1.
What is the InChIKey of 8-bromo-6-chloro-2-propan-2-yl-2,3-dihydrochromen-4-one?
The InChIKey is XLIBDKZTODTKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClO2/c1-6(2)11-5-10(15)8-3-7(14)4-9(13)12(8)16-11/h3-4,6,11H,5H2,1-2H3.
What are the key properties of 8-bromo-6-chloro-2-propan-2-yl-2,3-dihydrochromen-4-one?
8-bromo-6-chloro-2-propan-2-yl-2,3-dihydrochromen-4-one has a molecular weight of 303.58 g/mol, XLogP of 4.09, 1 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-propan-2-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 42597366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).