2-(5-bromo-2-hydroxyphenyl)-6-methylchromen-4-one

C16H11BrO3 — CID 1188139

IUPAC2-(5-bromo-2-hydroxyphenyl)-6-methylchromen-4-one
SMILESCc1ccc2oc(-c3cc(Br)ccc3O)cc(=O)c2c1
InChIInChI=1S/C16H11BrO3/c1-9-2-5-15-11(6-9)14(19)8-16(20-15)12-7-10(17)3-4-13(12)18/h2-8,18H,1H3
InChIKeyALGFQPMFHIDLFQ-UHFFFAOYSA-N
MW331.17 g/mol
LogP4.24
Rot. Bonds1

About 2-(5-bromo-2-hydroxyphenyl)-6-methylchromen-4-one

2-(5-bromo-2-hydroxyphenyl)-6-methylchromen-4-one (PubChem CID 1188139) has the molecular formula C16H11BrO3 and a molecular weight of 331.17 g/mol. Its IUPAC name is 2-(5-bromo-2-hydroxyphenyl)-6-methylchromen-4-one.

Molecular Properties

Compound Name2-(5-bromo-2-hydroxyphenyl)-6-methylchromen-4-one
PubChem CID1188139
Molecular FormulaC16H11BrO3
Molecular Weight331.17 g/mol
Exact Mass329.99
IUPAC Name2-(5-bromo-2-hydroxyphenyl)-6-methylchromen-4-one
SMILESCc1ccc2oc(-c3cc(Br)ccc3O)cc(=O)c2c1
InChIInChI=1S/C16H11BrO3/c1-9-2-5-15-11(6-9)14(19)8-16(20-15)12-7-10(17)3-4-13(12)18/h2-8,18H,1H3
InChIKeyALGFQPMFHIDLFQ-UHFFFAOYSA-N
XLogP4.24
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2'-Hydroxyflavone
CID 161860
6-Bromoflavone
CID 466276
4'-Bromoflavone
CID 1686
3'-Hydroxy-6-methylflavone
CID 11075942
6-Methyl-2-phenyl-chromen-4-one
CID 689013
7-bromo-1,3-dihydroxy-9H-xanthen-9-one
CID 37963834
4'-Hydroxy-6-methylflavone
CID 1659442
6,3'-Dibromoflavone
CID 10045305
6-Methylflavonol
CID 227445
3-(3-Bromophenyl)-6-methylchromen-2-one
CID 46895501
2-(3-Bromophenyl)chromen-4-one
CID 493373
2-(3-Bromophenyl)-3-hydroxy-4H-chromen-4-one
CID 466298

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-hydroxyphenyl)-6-methylchromen-4-one?
The IUPAC name of 2-(5-bromo-2-hydroxyphenyl)-6-methylchromen-4-one (CID 1188139) is 2-(5-bromo-2-hydroxyphenyl)-6-methylchromen-4-one.
What is the SMILES notation for 2-(5-bromo-2-hydroxyphenyl)-6-methylchromen-4-one?
The canonical SMILES for 2-(5-bromo-2-hydroxyphenyl)-6-methylchromen-4-one is Cc1ccc2oc(-c3cc(Br)ccc3O)cc(=O)c2c1.
What is the InChIKey of 2-(5-bromo-2-hydroxyphenyl)-6-methylchromen-4-one?
The InChIKey is ALGFQPMFHIDLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO3/c1-9-2-5-15-11(6-9)14(19)8-16(20-15)12-7-10(17)3-4-13(12)18/h2-8,18H,1H3.
What are the key properties of 2-(5-bromo-2-hydroxyphenyl)-6-methylchromen-4-one?
2-(5-bromo-2-hydroxyphenyl)-6-methylchromen-4-one has a molecular weight of 331.17 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-hydroxyphenyl)-6-methylchromen-4-one is sourced from PubChem (CID 1188139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).