4-bromo-3,6-diphenylpyran-2-one

C17H11BrO2 — CID 100914705

IUPAC4-bromo-3,6-diphenylpyran-2-one
SMILESO=c1oc(-c2ccccc2)cc(Br)c1-c1ccccc1
InChIInChI=1S/C17H11BrO2/c18-14-11-15(12-7-3-1-4-8-12)20-17(19)16(14)13-9-5-2-6-10-13/h1-11H
InChIKeyBHMIEPGHSHEWPH-UHFFFAOYSA-N
MW327.18 g/mol
LogP4.74
Rot. Bonds2

About 4-bromo-3,6-diphenylpyran-2-one

4-bromo-3,6-diphenylpyran-2-one (PubChem CID 100914705) has the molecular formula C17H11BrO2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 4-bromo-3,6-diphenylpyran-2-one.

Molecular Properties

Compound Name4-bromo-3,6-diphenylpyran-2-one
PubChem CID100914705
Molecular FormulaC17H11BrO2
Molecular Weight327.18 g/mol
Exact Mass325.99
IUPAC Name4-bromo-3,6-diphenylpyran-2-one
SMILESO=c1oc(-c2ccccc2)cc(Br)c1-c1ccccc1
InChIInChI=1S/C17H11BrO2/c18-14-11-15(12-7-3-1-4-8-12)20-17(19)16(14)13-9-5-2-6-10-13/h1-11H
InChIKeyBHMIEPGHSHEWPH-UHFFFAOYSA-N
XLogP4.74
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-methylsulfanylphenyl)-3,4-diphenylpyran-2-one
CID 11428674
3-(4-methylsulfonylphenyl)-4,6-diphenylpyran-2-one
CID 11475133
6,8-dibromo-4-methyl-3-phenylchromen-2-one
CID 57376729
6-[4-(diethylamino)phenyl]-3,4-diphenylpyran-2-one
CID 71350905
3-phenylbenzo[g]isochromen-1-one
CID 10849789
3-phenylazuleno[1,2-c]pyran-1-one
CID 165369387
6-(4-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-4-phenylpyran-2-one
CID 11154312
3-(2-oxocyclohepta[b]furan-3-yl)cyclohepta[b]furan-2-one
CID 102393739
4-bromo-2-phenyl-1-benzofuran
CID 11277308
6-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3-phenylpyran-2-one
CID 11486407
7-chloro-3-phenylisochromen-1-one
CID 62706099
3-bromo-5-iodo-6-phenylpyran-2-one
CID 10937690

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,6-diphenylpyran-2-one?
The IUPAC name of 4-bromo-3,6-diphenylpyran-2-one (CID 100914705) is 4-bromo-3,6-diphenylpyran-2-one.
What is the SMILES notation for 4-bromo-3,6-diphenylpyran-2-one?
The canonical SMILES for 4-bromo-3,6-diphenylpyran-2-one is O=c1oc(-c2ccccc2)cc(Br)c1-c1ccccc1.
What is the InChIKey of 4-bromo-3,6-diphenylpyran-2-one?
The InChIKey is BHMIEPGHSHEWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrO2/c18-14-11-15(12-7-3-1-4-8-12)20-17(19)16(14)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 4-bromo-3,6-diphenylpyran-2-one?
4-bromo-3,6-diphenylpyran-2-one has a molecular weight of 327.18 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,6-diphenylpyran-2-one is sourced from PubChem (CID 100914705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).