6-bromo-7-hydroxy-3-phenylchromen-4-one

C15H9BrO3 — CID 68946045

IUPAC6-bromo-7-hydroxy-3-phenylchromen-4-one
SMILESO=c1c(-c2ccccc2)coc2cc(O)c(Br)cc12
InChIInChI=1S/C15H9BrO3/c16-12-6-10-14(7-13(12)17)19-8-11(15(10)18)9-4-2-1-3-5-9/h1-8,17H
InChIKeyOLYYWUHMWXWGKL-UHFFFAOYSA-N
MW317.14 g/mol
LogP3.93
Rot. Bonds1

About 6-bromo-7-hydroxy-3-phenylchromen-4-one

6-bromo-7-hydroxy-3-phenylchromen-4-one (PubChem CID 68946045) has the molecular formula C15H9BrO3 and a molecular weight of 317.14 g/mol. Its IUPAC name is 6-bromo-7-hydroxy-3-phenylchromen-4-one.

Molecular Properties

Compound Name6-bromo-7-hydroxy-3-phenylchromen-4-one
PubChem CID68946045
Molecular FormulaC15H9BrO3
Molecular Weight317.14 g/mol
Exact Mass315.97
IUPAC Name6-bromo-7-hydroxy-3-phenylchromen-4-one
SMILESO=c1c(-c2ccccc2)coc2cc(O)c(Br)cc12
InChIInChI=1S/C15H9BrO3/c16-12-6-10-14(7-13(12)17)19-8-11(15(10)18)9-4-2-1-3-5-9/h1-8,17H
InChIKeyOLYYWUHMWXWGKL-UHFFFAOYSA-N
XLogP3.93
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-hydroxy-3-phenylchromen-4-one?
The IUPAC name of 6-bromo-7-hydroxy-3-phenylchromen-4-one (CID 68946045) is 6-bromo-7-hydroxy-3-phenylchromen-4-one.
What is the SMILES notation for 6-bromo-7-hydroxy-3-phenylchromen-4-one?
The canonical SMILES for 6-bromo-7-hydroxy-3-phenylchromen-4-one is O=c1c(-c2ccccc2)coc2cc(O)c(Br)cc12.
What is the InChIKey of 6-bromo-7-hydroxy-3-phenylchromen-4-one?
The InChIKey is OLYYWUHMWXWGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrO3/c16-12-6-10-14(7-13(12)17)19-8-11(15(10)18)9-4-2-1-3-5-9/h1-8,17H.
What are the key properties of 6-bromo-7-hydroxy-3-phenylchromen-4-one?
6-bromo-7-hydroxy-3-phenylchromen-4-one has a molecular weight of 317.14 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-hydroxy-3-phenylchromen-4-one is sourced from PubChem (CID 68946045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).