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

C16H10Br2O2 — CID 162642889

IUPAC5,7-dibromo-2-(4-methylphenyl)chromen-4-one
SMILESCc1ccc(-c2cc(=O)c3c(Br)cc(Br)cc3o2)cc1
InChIInChI=1S/C16H10Br2O2/c1-9-2-4-10(5-3-9)14-8-13(19)16-12(18)6-11(17)7-15(16)20-14/h2-8H,1H3
InChIKeySZWURQWCRZZAFU-UHFFFAOYSA-N
MW394.06 g/mol
LogP5.29
Rot. Bonds1

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

5,7-dibromo-2-(4-methylphenyl)chromen-4-one (PubChem CID 162642889) has the molecular formula C16H10Br2O2 and a molecular weight of 394.06 g/mol. Its IUPAC name is 5,7-dibromo-2-(4-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dibromo-2-(4-methylphenyl)chromen-4-one
PubChem CID162642889
Molecular FormulaC16H10Br2O2
Molecular Weight394.06 g/mol
Exact Mass391.90
IUPAC Name5,7-dibromo-2-(4-methylphenyl)chromen-4-one
SMILESCc1ccc(-c2cc(=O)c3c(Br)cc(Br)cc3o2)cc1
InChIInChI=1S/C16H10Br2O2/c1-9-2-4-10(5-3-9)14-8-13(19)16-12(18)6-11(17)7-15(16)20-14/h2-8H,1H3
InChIKeySZWURQWCRZZAFU-UHFFFAOYSA-N
XLogP5.29
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.06
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-dibromo-2-(4-nitrophenyl)chromen-4-one
CID 162668451
5,7-dibromo-3-hydroxy-2-(4-methylphenyl)chromen-4-one
CID 162675191
5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
CID 90949026
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
2-(4-aminophenyl)-5,7-dimethylchromen-4-one
CID 82046479
5-amino-2-(4-aminophenyl)-6-bromochromen-4-one
CID 15346987
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methylchromen-4-one
CID 162817904
6-chloro-2-(4-chlorophenyl)-5,7-dimethylchromen-4-one
CID 71739419
7-hydroxy-2-(4-methylphenyl)chromen-4-one
CID 10848398
5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethylchromen-4-one
CID 95048626
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318
7-methyl-2-phenylpyrano[4,3-b]pyran-4,5-dione
CID 14202855

Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-2-(4-methylphenyl)chromen-4-one?
The IUPAC name of 5,7-dibromo-2-(4-methylphenyl)chromen-4-one (CID 162642889) is 5,7-dibromo-2-(4-methylphenyl)chromen-4-one.
What is the SMILES notation for 5,7-dibromo-2-(4-methylphenyl)chromen-4-one?
The canonical SMILES for 5,7-dibromo-2-(4-methylphenyl)chromen-4-one is Cc1ccc(-c2cc(=O)c3c(Br)cc(Br)cc3o2)cc1.
What is the InChIKey of 5,7-dibromo-2-(4-methylphenyl)chromen-4-one?
The InChIKey is SZWURQWCRZZAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2O2/c1-9-2-4-10(5-3-9)14-8-13(19)16-12(18)6-11(17)7-15(16)20-14/h2-8H,1H3.
What are the key properties of 5,7-dibromo-2-(4-methylphenyl)chromen-4-one?
5,7-dibromo-2-(4-methylphenyl)chromen-4-one has a molecular weight of 394.06 g/mol, XLogP of 5.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-2-(4-methylphenyl)chromen-4-one is sourced from PubChem (CID 162642889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).