2-(3-bromophenyl)-3-hydroxy-2,3-dihydrochromen-4-one

C15H11BrO3 — CID 5271519

IUPAC2-(3-bromophenyl)-3-hydroxy-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2OC(c2cccc(Br)c2)C1O
InChIInChI=1S/C15H11BrO3/c16-10-5-3-4-9(8-10)15-14(18)13(17)11-6-1-2-7-12(11)19-15/h1-8,14-15,18H
InChIKeyVZEUPQIQCGXZII-UHFFFAOYSA-N
MW319.15 g/mol
LogP3.13
Rot. Bonds1

About 2-(3-bromophenyl)-3-hydroxy-2,3-dihydrochromen-4-one

2-(3-bromophenyl)-3-hydroxy-2,3-dihydrochromen-4-one (PubChem CID 5271519) has the molecular formula C15H11BrO3 and a molecular weight of 319.15 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-hydroxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-hydroxy-2,3-dihydrochromen-4-one
PubChem CID5271519
Molecular FormulaC15H11BrO3
Molecular Weight319.15 g/mol
Exact Mass317.99
IUPAC Name2-(3-bromophenyl)-3-hydroxy-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2OC(c2cccc(Br)c2)C1O
InChIInChI=1S/C15H11BrO3/c16-10-5-3-4-9(8-10)15-14(18)13(17)11-6-1-2-7-12(11)19-15/h1-8,14-15,18H
InChIKeyVZEUPQIQCGXZII-UHFFFAOYSA-N
XLogP3.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-hydroxy-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(3-bromophenyl)-3-hydroxy-2,3-dihydrochromen-4-one (CID 5271519) is 2-(3-bromophenyl)-3-hydroxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(3-bromophenyl)-3-hydroxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(3-bromophenyl)-3-hydroxy-2,3-dihydrochromen-4-one is O=C1c2ccccc2OC(c2cccc(Br)c2)C1O.
What is the InChIKey of 2-(3-bromophenyl)-3-hydroxy-2,3-dihydrochromen-4-one?
The InChIKey is VZEUPQIQCGXZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO3/c16-10-5-3-4-9(8-10)15-14(18)13(17)11-6-1-2-7-12(11)19-15/h1-8,14-15,18H.
What are the key properties of 2-(3-bromophenyl)-3-hydroxy-2,3-dihydrochromen-4-one?
2-(3-bromophenyl)-3-hydroxy-2,3-dihydrochromen-4-one has a molecular weight of 319.15 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-hydroxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 5271519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).