2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxychromen-4-one

C15H8Br2O4 — CID 54016489

IUPAC2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxychromen-4-one
SMILESO=c1cc(-c2cc(Br)c(O)c(Br)c2)oc2ccc(O)cc12
InChIInChI=1S/C15H8Br2O4/c16-10-3-7(4-11(17)15(10)20)14-6-12(19)9-5-8(18)1-2-13(9)21-14/h1-6,18,20H
InChIKeyKVZBVOSDMZYFDF-UHFFFAOYSA-N
MW412.03 g/mol
LogP4.40
Rot. Bonds1

About 2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxychromen-4-one

2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxychromen-4-one (PubChem CID 54016489) has the molecular formula C15H8Br2O4 and a molecular weight of 412.03 g/mol. Its IUPAC name is 2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxychromen-4-one.

Molecular Properties

Compound Name2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxychromen-4-one
PubChem CID54016489
Molecular FormulaC15H8Br2O4
Molecular Weight412.03 g/mol
Exact Mass409.88
IUPAC Name2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxychromen-4-one
SMILESO=c1cc(-c2cc(Br)c(O)c(Br)c2)oc2ccc(O)cc12
InChIInChI=1S/C15H8Br2O4/c16-10-3-7(4-11(17)15(10)20)14-6-12(19)9-5-8(18)1-2-13(9)21-14/h1-6,18,20H
InChIKeyKVZBVOSDMZYFDF-UHFFFAOYSA-N
XLogP4.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.03
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxychromen-4-one?
The IUPAC name of 2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxychromen-4-one (CID 54016489) is 2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxychromen-4-one.
What is the SMILES notation for 2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxychromen-4-one?
The canonical SMILES for 2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxychromen-4-one is O=c1cc(-c2cc(Br)c(O)c(Br)c2)oc2ccc(O)cc12.
What is the InChIKey of 2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxychromen-4-one?
The InChIKey is KVZBVOSDMZYFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2O4/c16-10-3-7(4-11(17)15(10)20)14-6-12(19)9-5-8(18)1-2-13(9)21-14/h1-6,18,20H.
What are the key properties of 2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxychromen-4-one?
2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxychromen-4-one has a molecular weight of 412.03 g/mol, XLogP of 4.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxychromen-4-one is sourced from PubChem (CID 54016489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).