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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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).