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

C16H11BrO3 — CID 100964512

IUPAC7-bromo-2-(2-hydroxyphenyl)-6-methylchromen-4-one
SMILESCc1cc2c(=O)cc(-c3ccccc3O)oc2cc1Br
InChIInChI=1S/C16H11BrO3/c1-9-6-11-14(19)8-16(20-15(11)7-12(9)17)10-4-2-3-5-13(10)18/h2-8,18H,1H3
InChIKeySSKUORGEWSGTHF-UHFFFAOYSA-N
MW331.17 g/mol
LogP4.24
Rot. Bonds1

About 7-bromo-2-(2-hydroxyphenyl)-6-methylchromen-4-one

7-bromo-2-(2-hydroxyphenyl)-6-methylchromen-4-one (PubChem CID 100964512) has the molecular formula C16H11BrO3 and a molecular weight of 331.17 g/mol. Its IUPAC name is 7-bromo-2-(2-hydroxyphenyl)-6-methylchromen-4-one.

Molecular Properties

Compound Name7-bromo-2-(2-hydroxyphenyl)-6-methylchromen-4-one
PubChem CID100964512
Molecular FormulaC16H11BrO3
Molecular Weight331.17 g/mol
Exact Mass329.99
IUPAC Name7-bromo-2-(2-hydroxyphenyl)-6-methylchromen-4-one
SMILESCc1cc2c(=O)cc(-c3ccccc3O)oc2cc1Br
InChIInChI=1S/C16H11BrO3/c1-9-6-11-14(19)8-16(20-15(11)7-12(9)17)10-4-2-3-5-13(10)18/h2-8,18H,1H3
InChIKeySSKUORGEWSGTHF-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

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CID 90123995
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2-(2-methylphenyl)chromen-4-one
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7-methyl-2-(2-methylphenyl)chromen-4-one
CID 4038144
5-hydroxy-2-(2-hydroxyphenyl)-7-methoxychromen-4-one
CID 15559079
2-(2-chlorophenyl)-6-hydroxychromen-4-one
CID 14982999
6-bromo-2-(2-iodophenyl)chromen-4-one
CID 86249786
2-dibenzofuran-1-ylchromen-4-one
CID 168888509
2-(2-hydroxyphenyl)chromen-4-one;N-(4-methoxyphenyl)acetamide
CID 70163906
2-(5-amino-2-chlorophenyl)-6,7-dimethylchromen-4-one
CID 82046653
7-bromo-4-chloro-6-methylchromen-2-one
CID 166609763

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2-hydroxyphenyl)-6-methylchromen-4-one?
The IUPAC name of 7-bromo-2-(2-hydroxyphenyl)-6-methylchromen-4-one (CID 100964512) is 7-bromo-2-(2-hydroxyphenyl)-6-methylchromen-4-one.
What is the SMILES notation for 7-bromo-2-(2-hydroxyphenyl)-6-methylchromen-4-one?
The canonical SMILES for 7-bromo-2-(2-hydroxyphenyl)-6-methylchromen-4-one is Cc1cc2c(=O)cc(-c3ccccc3O)oc2cc1Br.
What is the InChIKey of 7-bromo-2-(2-hydroxyphenyl)-6-methylchromen-4-one?
The InChIKey is SSKUORGEWSGTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO3/c1-9-6-11-14(19)8-16(20-15(11)7-12(9)17)10-4-2-3-5-13(10)18/h2-8,18H,1H3.
What are the key properties of 7-bromo-2-(2-hydroxyphenyl)-6-methylchromen-4-one?
7-bromo-2-(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 7-bromo-2-(2-hydroxyphenyl)-6-methylchromen-4-one is sourced from PubChem (CID 100964512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).