5-bromo-4-methyl-6-phenylpyran-2-one

C12H9BrO2 — CID 121010886

IUPAC5-bromo-4-methyl-6-phenylpyran-2-one
SMILESCc1cc(=O)oc(-c2ccccc2)c1Br
InChIInChI=1S/C12H9BrO2/c1-8-7-10(14)15-12(11(8)13)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyAXWXPYGWVZOUJM-UHFFFAOYSA-N
MW265.11 g/mol
LogP3.38
Rot. Bonds1

About 5-bromo-4-methyl-6-phenylpyran-2-one

5-bromo-4-methyl-6-phenylpyran-2-one (PubChem CID 121010886) has the molecular formula C12H9BrO2 and a molecular weight of 265.11 g/mol. Its IUPAC name is 5-bromo-4-methyl-6-phenylpyran-2-one.

Molecular Properties

Compound Name5-bromo-4-methyl-6-phenylpyran-2-one
PubChem CID121010886
Molecular FormulaC12H9BrO2
Molecular Weight265.11 g/mol
Exact Mass263.98
IUPAC Name5-bromo-4-methyl-6-phenylpyran-2-one
SMILESCc1cc(=O)oc(-c2ccccc2)c1Br
InChIInChI=1S/C12H9BrO2/c1-8-7-10(14)15-12(11(8)13)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyAXWXPYGWVZOUJM-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

6-methyl-4,5-diphenylpyran-2-one
CID 71359580
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CID 132549906
3,9-dibromo-4-methyl-8-phenylfuro[2,3-h]chromen-2-one
CID 58008404
7-hydroxy-4-methyl-6-(4-phenyl-1,2-oxazol-5-yl)chromen-2-one
CID 137250269
8-fluorocyclohepta[b]furan-2-one
CID 86188455
3,8-dibromo-2-phenylchromen-4-one
CID 91664816
3-bromo-5-iodo-6-phenylpyran-2-one
CID 10937690
2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one
CID 907369
2-bromo-4-methyl-5-phenyl-1,3-oxazole
CID 105499980
5-bromo-1,3-diphenyl-2-benzofuran
CID 71084545
7-bromo-4,6-dimethyl-2-phenyl-1,3-benzoxazole
CID 82234163
7-methoxy-4-methyl-6-phenylchromen-2-one
CID 102307411

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-6-phenylpyran-2-one?
The IUPAC name of 5-bromo-4-methyl-6-phenylpyran-2-one (CID 121010886) is 5-bromo-4-methyl-6-phenylpyran-2-one.
What is the SMILES notation for 5-bromo-4-methyl-6-phenylpyran-2-one?
The canonical SMILES for 5-bromo-4-methyl-6-phenylpyran-2-one is Cc1cc(=O)oc(-c2ccccc2)c1Br.
What is the InChIKey of 5-bromo-4-methyl-6-phenylpyran-2-one?
The InChIKey is AXWXPYGWVZOUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO2/c1-8-7-10(14)15-12(11(8)13)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 5-bromo-4-methyl-6-phenylpyran-2-one?
5-bromo-4-methyl-6-phenylpyran-2-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 5-bromo-4-methyl-6-phenylpyran-2-one is sourced from PubChem (CID 121010886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).