2-(4-bromophenyl)-6-methylpyran-4-one

C12H9BrO2 — CID 101175754

IUPAC2-(4-bromophenyl)-6-methylpyran-4-one
SMILESCc1cc(=O)cc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C12H9BrO2/c1-8-6-11(14)7-12(15-8)9-2-4-10(13)5-3-9/h2-7H,1H3
InChIKeyJWSAZDZOIHDVEQ-UHFFFAOYSA-N
MW265.11 g/mol
LogP3.38
Rot. Bonds1

About 2-(4-bromophenyl)-6-methylpyran-4-one

2-(4-bromophenyl)-6-methylpyran-4-one (PubChem CID 101175754) has the molecular formula C12H9BrO2 and a molecular weight of 265.11 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-methylpyran-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-methylpyran-4-one
PubChem CID101175754
Molecular FormulaC12H9BrO2
Molecular Weight265.11 g/mol
Exact Mass263.98
IUPAC Name2-(4-bromophenyl)-6-methylpyran-4-one
SMILESCc1cc(=O)cc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C12H9BrO2/c1-8-6-11(14)7-12(15-8)9-2-4-10(13)5-3-9/h2-7H,1H3
InChIKeyJWSAZDZOIHDVEQ-UHFFFAOYSA-N
XLogP3.38
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-6-(4-methylphenyl)pyran-4-one
CID 10756387
2-(4-bromophenyl)-3-hydroxy-6-methylpyran-4-one
CID 150681279
5-(4-bromophenyl)-2,3-bis(4-methylphenyl)furan
CID 71317707
2-(4-bromophenyl)-7-methoxychromen-4-one
CID 25032618
5-(4-bromophenyl)-3-methyl-2-phenylfuran
CID 132549906
6-(4-bromophenyl)pyran-2-one
CID 747845
4-(4-bromophenyl)-2-methyl-1,3-oxazin-6-one
CID 132519837
3-amino-6-(4-bromophenyl)-4-propylpyran-2-one
CID 141241879
5-(4-bromophenyl)-3H-1,3-oxazol-2-one
CID 13149225
2,6-bis(3-methylphenyl)pyran-4-one
CID 73055523
5,7-dibromo-2-(4-methylphenyl)chromen-4-one
CID 162642889
2-(4-bromophenyl)-8-chlorochromen-4-one
CID 164809854

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-methylpyran-4-one?
The IUPAC name of 2-(4-bromophenyl)-6-methylpyran-4-one (CID 101175754) is 2-(4-bromophenyl)-6-methylpyran-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-6-methylpyran-4-one?
The canonical SMILES for 2-(4-bromophenyl)-6-methylpyran-4-one is Cc1cc(=O)cc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 2-(4-bromophenyl)-6-methylpyran-4-one?
The InChIKey is JWSAZDZOIHDVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO2/c1-8-6-11(14)7-12(15-8)9-2-4-10(13)5-3-9/h2-7H,1H3.
What are the key properties of 2-(4-bromophenyl)-6-methylpyran-4-one?
2-(4-bromophenyl)-6-methylpyran-4-one has a molecular weight of 265.11 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-methylpyran-4-one is sourced from PubChem (CID 101175754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).