8-bromo-7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

C15H11BrO4 — CID 11956010

IUPAC8-bromo-7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILESO=C1c2ccc(O)c(Br)c2OCC1c1ccc(O)cc1
InChIInChI=1S/C15H11BrO4/c16-13-12(18)6-5-10-14(19)11(7-20-15(10)13)8-1-3-9(17)4-2-8/h1-6,11,17-18H,7H2
InChIKeyZPWCRYNPUYNALX-UHFFFAOYSA-N
MW335.15 g/mol
LogP3.22
Rot. Bonds1

About 8-bromo-7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

8-bromo-7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 11956010) has the molecular formula C15H11BrO4 and a molecular weight of 335.15 g/mol. Its IUPAC name is 8-bromo-7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name8-bromo-7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID11956010
Molecular FormulaC15H11BrO4
Molecular Weight335.15 g/mol
Exact Mass333.98
IUPAC Name8-bromo-7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILESO=C1c2ccc(O)c(Br)c2OCC1c1ccc(O)cc1
InChIInChI=1S/C15H11BrO4/c16-13-12(18)6-5-10-14(19)11(7-20-15(10)13)8-1-3-9(17)4-2-8/h1-6,11,17-18H,7H2
InChIKeyZPWCRYNPUYNALX-UHFFFAOYSA-N
XLogP3.22
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Genistein
CID 5280961
Apigenin
CID 5280443
Naringenin
CID 439246
Formononetin
CID 5280378
Daidzein
CID 5281708
Chrysin
CID 5281607
Biochanin A
CID 5280373
Liquiritigenin
CID 114829
(+)-Pinocembrin
CID 68071
(+-)-Naringenin
CID 932
Prunetin
CID 5281804
Sophoraflavanone B
CID 480764

Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 8-bromo-7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one (CID 11956010) is 8-bromo-7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 8-bromo-7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 8-bromo-7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one is O=C1c2ccc(O)c(Br)c2OCC1c1ccc(O)cc1.
What is the InChIKey of 8-bromo-7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is ZPWCRYNPUYNALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO4/c16-13-12(18)6-5-10-14(19)11(7-20-15(10)13)8-1-3-9(17)4-2-8/h1-6,11,17-18H,7H2.
What are the key properties of 8-bromo-7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
8-bromo-7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 335.15 g/mol, XLogP of 3.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 11956010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).