6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one

C15H11BrO3 — CID 114674234

IUPAC6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cccc(O)c2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H11BrO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-7,15,17H,8H2
InChIKeyCWQTZJZIQLAXER-UHFFFAOYSA-N
MW319.15 g/mol
LogP3.86
Rot. Bonds1

About 6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one

6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 114674234) has the molecular formula C15H11BrO3 and a molecular weight of 319.15 g/mol. Its IUPAC name is 6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID114674234
Molecular FormulaC15H11BrO3
Molecular Weight319.15 g/mol
Exact Mass317.99
IUPAC Name6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cccc(O)c2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H11BrO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-7,15,17H,8H2
InChIKeyCWQTZJZIQLAXER-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one
CID 71059551
6-bromo-2-(3-iodophenyl)-2,3-dihydrochromen-4-one
CID 114283242
7-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 620596
(2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 77105169
(2R)-6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one
CID 40901085
6-hydroxy-2-(3-nitrophenyl)-2,3-dihydrochromen-4-one
CID 157444606
6-bromo-2-(3,4,5-trifluorophenyl)-2,3-dihydrochromen-4-one
CID 114674398
6-bromo-2-(4-propan-2-ylphenyl)-2,3-dihydrochromen-4-one
CID 114674444
7-fluoro-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 114674580
2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673979
6-bromo-2-(2-bromo-4-chlorophenyl)-2,3-dihydrochromen-4-one
CID 114674168
6-bromo-2-(2-fluorophenyl)-2,3-dihydrochromen-4-one
CID 58424087

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one (CID 114674234) is 6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one is O=C1CC(c2cccc(O)c2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is CWQTZJZIQLAXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-7,15,17H,8H2.
What are the key properties of 6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one?
6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 319.15 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114674234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).