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

C11H7BrO2 — CID 747845

IUPAC6-(4-bromophenyl)pyran-2-one
SMILESO=c1cccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C11H7BrO2/c12-9-6-4-8(5-7-9)10-2-1-3-11(13)14-10/h1-7H
InChIKeyRKQXNSHCHMGYPP-UHFFFAOYSA-N
MW251.08 g/mol
LogP3.07
Rot. Bonds1

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

6-(4-bromophenyl)pyran-2-one (PubChem CID 747845) has the molecular formula C11H7BrO2 and a molecular weight of 251.08 g/mol. Its IUPAC name is 6-(4-bromophenyl)pyran-2-one.

Molecular Properties

Compound Name6-(4-bromophenyl)pyran-2-one
PubChem CID747845
Molecular FormulaC11H7BrO2
Molecular Weight251.08 g/mol
Exact Mass249.96
IUPAC Name6-(4-bromophenyl)pyran-2-one
SMILESO=c1cccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C11H7BrO2/c12-9-6-4-8(5-7-9)10-2-1-3-11(13)14-10/h1-7H
InChIKeyRKQXNSHCHMGYPP-UHFFFAOYSA-N
XLogP3.07
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)pyran-2-one?
The IUPAC name of 6-(4-bromophenyl)pyran-2-one (CID 747845) is 6-(4-bromophenyl)pyran-2-one.
What is the SMILES notation for 6-(4-bromophenyl)pyran-2-one?
The canonical SMILES for 6-(4-bromophenyl)pyran-2-one is O=c1cccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 6-(4-bromophenyl)pyran-2-one?
The InChIKey is RKQXNSHCHMGYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrO2/c12-9-6-4-8(5-7-9)10-2-1-3-11(13)14-10/h1-7H.
What are the key properties of 6-(4-bromophenyl)pyran-2-one?
6-(4-bromophenyl)pyran-2-one has a molecular weight of 251.08 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)pyran-2-one is sourced from PubChem (CID 747845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).