bromobenzene;chromen-4-one

C15H11BrO2 — CID 174809663

IUPACbromobenzene;chromen-4-one
SMILESBrc1ccccc1.O=c1ccoc2ccccc12
InChIInChI=1S/C9H6O2.C6H5Br/c10-8-5-6-11-9-4-2-1-3-7(8)9;7-6-4-2-1-3-5-6/h1-6H;1-5H
InChIKeyFGTFFEZUZGOJFH-UHFFFAOYSA-N
MW303.16 g/mol
LogP4.24
Rot. Bonds

About bromobenzene;chromen-4-one

bromobenzene;chromen-4-one (PubChem CID 174809663) has the molecular formula C15H11BrO2 and a molecular weight of 303.16 g/mol. Its IUPAC name is bromobenzene;chromen-4-one.

Molecular Properties

Compound Namebromobenzene;chromen-4-one
PubChem CID174809663
Molecular FormulaC15H11BrO2
Molecular Weight303.16 g/mol
Exact Mass301.99
IUPAC Namebromobenzene;chromen-4-one
SMILESBrc1ccccc1.O=c1ccoc2ccccc12
InChIInChI=1S/C9H6O2.C6H5Br/c10-8-5-6-11-9-4-2-1-3-7(8)9;7-6-4-2-1-3-5-6/h1-6H;1-5H
InChIKeyFGTFFEZUZGOJFH-UHFFFAOYSA-N
XLogP4.24
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bromobenzene;chromen-4-one?
The IUPAC name of bromobenzene;chromen-4-one (CID 174809663) is bromobenzene;chromen-4-one.
What is the SMILES notation for bromobenzene;chromen-4-one?
The canonical SMILES for bromobenzene;chromen-4-one is Brc1ccccc1.O=c1ccoc2ccccc12.
What is the InChIKey of bromobenzene;chromen-4-one?
The InChIKey is FGTFFEZUZGOJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O2.C6H5Br/c10-8-5-6-11-9-4-2-1-3-7(8)9;7-6-4-2-1-3-5-6/h1-6H;1-5H.
What are the key properties of bromobenzene;chromen-4-one?
bromobenzene;chromen-4-one has a molecular weight of 303.16 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene;chromen-4-one is sourced from PubChem (CID 174809663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).