5,7-dibromo-3-hydroxy-2-(4-methylphenyl)chromen-4-one

C16H10Br2O3 — CID 162675191

IUPAC5,7-dibromo-3-hydroxy-2-(4-methylphenyl)chromen-4-one
SMILESCc1ccc(-c2oc3cc(Br)cc(Br)c3c(=O)c2O)cc1
InChIInChI=1S/C16H10Br2O3/c1-8-2-4-9(5-3-8)16-15(20)14(19)13-11(18)6-10(17)7-12(13)21-16/h2-7,20H,1H3
InChIKeyAHVRHVUKYJIKMO-UHFFFAOYSA-N
MW410.06 g/mol
LogP5.00
Rot. Bonds1

About 5,7-dibromo-3-hydroxy-2-(4-methylphenyl)chromen-4-one

5,7-dibromo-3-hydroxy-2-(4-methylphenyl)chromen-4-one (PubChem CID 162675191) has the molecular formula C16H10Br2O3 and a molecular weight of 410.06 g/mol. Its IUPAC name is 5,7-dibromo-3-hydroxy-2-(4-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dibromo-3-hydroxy-2-(4-methylphenyl)chromen-4-one
PubChem CID162675191
Molecular FormulaC16H10Br2O3
Molecular Weight410.06 g/mol
Exact Mass407.90
IUPAC Name5,7-dibromo-3-hydroxy-2-(4-methylphenyl)chromen-4-one
SMILESCc1ccc(-c2oc3cc(Br)cc(Br)c3c(=O)c2O)cc1
InChIInChI=1S/C16H10Br2O3/c1-8-2-4-9(5-3-8)16-15(20)14(19)13-11(18)6-10(17)7-12(13)21-16/h2-7,20H,1H3
InChIKeyAHVRHVUKYJIKMO-UHFFFAOYSA-N
XLogP5.00
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.06
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dibromo-2-(4-methylphenyl)chromen-4-one
CID 162642889
3,5,7-trihydroxy-6-(3-methylbut-2-enyl)-2-(4-methylphenyl)chromen-4-one
CID 163585997
7-bromo-3,5-dihydroxy-6-iodo-2-phenylchromen-4-one
CID 70417264
2-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methylchromen-4-one
CID 59679761
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
2-(4-bromophenyl)-5-chloro-3-hydroxypyrano[2,3-c]pyridin-4-one
CID 129139347
3,6,7-trihydroxy-2,5-diphenylchromen-4-one
CID 143758219
2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one
CID 1413436
3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one
CID 10453329
3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 5393154
2-(4-bromophenyl)-3-hydroxy-6-methylpyran-4-one
CID 150681279
2-(3,4-dihydroxyphenyl)-3-hydroxy-6-methylchromen-4-one
CID 18372894

Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-3-hydroxy-2-(4-methylphenyl)chromen-4-one?
The IUPAC name of 5,7-dibromo-3-hydroxy-2-(4-methylphenyl)chromen-4-one (CID 162675191) is 5,7-dibromo-3-hydroxy-2-(4-methylphenyl)chromen-4-one.
What is the SMILES notation for 5,7-dibromo-3-hydroxy-2-(4-methylphenyl)chromen-4-one?
The canonical SMILES for 5,7-dibromo-3-hydroxy-2-(4-methylphenyl)chromen-4-one is Cc1ccc(-c2oc3cc(Br)cc(Br)c3c(=O)c2O)cc1.
What is the InChIKey of 5,7-dibromo-3-hydroxy-2-(4-methylphenyl)chromen-4-one?
The InChIKey is AHVRHVUKYJIKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2O3/c1-8-2-4-9(5-3-8)16-15(20)14(19)13-11(18)6-10(17)7-12(13)21-16/h2-7,20H,1H3.
What are the key properties of 5,7-dibromo-3-hydroxy-2-(4-methylphenyl)chromen-4-one?
5,7-dibromo-3-hydroxy-2-(4-methylphenyl)chromen-4-one has a molecular weight of 410.06 g/mol, XLogP of 5.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-3-hydroxy-2-(4-methylphenyl)chromen-4-one is sourced from PubChem (CID 162675191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).