2-(4-bromophenyl)chromen-4-one

C15H9BrO2 — CID 1686

IUPAC2-(4-bromophenyl)chromen-4-one
SMILESO=c1cc(-c2ccc(Br)cc2)oc2ccccc12
InChIInChI=1S/C15H9BrO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H
InChIKeyURZUAHXELZUWFE-UHFFFAOYSA-N
MW301.14 g/mol
LogP4.22
Rot. Bonds1

About 2-(4-bromophenyl)chromen-4-one

2-(4-bromophenyl)chromen-4-one (PubChem CID 1686) has the molecular formula C15H9BrO2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 2-(4-bromophenyl)chromen-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)chromen-4-one
PubChem CID1686
Molecular FormulaC15H9BrO2
Molecular Weight301.14 g/mol
Exact Mass299.98
IUPAC Name2-(4-bromophenyl)chromen-4-one
SMILESO=c1cc(-c2ccc(Br)cc2)oc2ccccc12
InChIInChI=1S/C15H9BrO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H
InChIKeyURZUAHXELZUWFE-UHFFFAOYSA-N
XLogP4.22
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)chromen-4-one?
The IUPAC name of 2-(4-bromophenyl)chromen-4-one (CID 1686) is 2-(4-bromophenyl)chromen-4-one.
What is the SMILES notation for 2-(4-bromophenyl)chromen-4-one?
The canonical SMILES for 2-(4-bromophenyl)chromen-4-one is O=c1cc(-c2ccc(Br)cc2)oc2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)chromen-4-one?
The InChIKey is URZUAHXELZUWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H.
What are the key properties of 2-(4-bromophenyl)chromen-4-one?
2-(4-bromophenyl)chromen-4-one has a molecular weight of 301.14 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)chromen-4-one is sourced from PubChem (CID 1686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).