6-bromo-2-(2-hydroxypropan-2-yl)chromen-4-one

C12H11BrO3 — CID 134910802

IUPAC6-bromo-2-(2-hydroxypropan-2-yl)chromen-4-one
SMILESCC(C)(O)c1cc(=O)c2cc(Br)ccc2o1
InChIInChI=1S/C12H11BrO3/c1-12(2,15)11-6-9(14)8-5-7(13)3-4-10(8)16-11/h3-6,15H,1-2H3
InChIKeyWIINATKZKMDXAS-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.78
Rot. Bonds1

About 6-bromo-2-(2-hydroxypropan-2-yl)chromen-4-one

6-bromo-2-(2-hydroxypropan-2-yl)chromen-4-one (PubChem CID 134910802) has the molecular formula C12H11BrO3 and a molecular weight of 283.12 g/mol. Its IUPAC name is 6-bromo-2-(2-hydroxypropan-2-yl)chromen-4-one.

Molecular Properties

Compound Name6-bromo-2-(2-hydroxypropan-2-yl)chromen-4-one
PubChem CID134910802
Molecular FormulaC12H11BrO3
Molecular Weight283.12 g/mol
Exact Mass281.99
IUPAC Name6-bromo-2-(2-hydroxypropan-2-yl)chromen-4-one
SMILESCC(C)(O)c1cc(=O)c2cc(Br)ccc2o1
InChIInChI=1S/C12H11BrO3/c1-12(2,15)11-6-9(14)8-5-7(13)3-4-10(8)16-11/h3-6,15H,1-2H3
InChIKeyWIINATKZKMDXAS-UHFFFAOYSA-N
XLogP2.78
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-hydroxypropan-2-yl)chromen-4-one?
The IUPAC name of 6-bromo-2-(2-hydroxypropan-2-yl)chromen-4-one (CID 134910802) is 6-bromo-2-(2-hydroxypropan-2-yl)chromen-4-one.
What is the SMILES notation for 6-bromo-2-(2-hydroxypropan-2-yl)chromen-4-one?
The canonical SMILES for 6-bromo-2-(2-hydroxypropan-2-yl)chromen-4-one is CC(C)(O)c1cc(=O)c2cc(Br)ccc2o1.
What is the InChIKey of 6-bromo-2-(2-hydroxypropan-2-yl)chromen-4-one?
The InChIKey is WIINATKZKMDXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO3/c1-12(2,15)11-6-9(14)8-5-7(13)3-4-10(8)16-11/h3-6,15H,1-2H3.
What are the key properties of 6-bromo-2-(2-hydroxypropan-2-yl)chromen-4-one?
6-bromo-2-(2-hydroxypropan-2-yl)chromen-4-one has a molecular weight of 283.12 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-hydroxypropan-2-yl)chromen-4-one is sourced from PubChem (CID 134910802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).