7-acetyl-8-bromo-5-hydroxy-2-phenylchromen-4-one

C17H11BrO4 — CID 142673083

IUPAC7-acetyl-8-bromo-5-hydroxy-2-phenylchromen-4-one
SMILESCC(=O)c1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1Br
InChIInChI=1S/C17H11BrO4/c1-9(19)11-7-12(20)15-13(21)8-14(22-17(15)16(11)18)10-5-3-2-4-6-10/h2-8,20H,1H3
InChIKeyAVTHANGUZZZPGW-UHFFFAOYSA-N
MW359.18 g/mol
LogP4.13
Rot. Bonds2

About 7-acetyl-8-bromo-5-hydroxy-2-phenylchromen-4-one

7-acetyl-8-bromo-5-hydroxy-2-phenylchromen-4-one (PubChem CID 142673083) has the molecular formula C17H11BrO4 and a molecular weight of 359.18 g/mol. Its IUPAC name is 7-acetyl-8-bromo-5-hydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name7-acetyl-8-bromo-5-hydroxy-2-phenylchromen-4-one
PubChem CID142673083
Molecular FormulaC17H11BrO4
Molecular Weight359.18 g/mol
Exact Mass357.98
IUPAC Name7-acetyl-8-bromo-5-hydroxy-2-phenylchromen-4-one
SMILESCC(=O)c1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1Br
InChIInChI=1S/C17H11BrO4/c1-9(19)11-7-12(20)15-13(21)8-14(22-17(15)16(11)18)10-5-3-2-4-6-10/h2-8,20H,1H3
InChIKeyAVTHANGUZZZPGW-UHFFFAOYSA-N
XLogP4.13
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
CID 5281703
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
CID 175431329
5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one
CID 5281903
5-methyl-4-oxo-2-phenylchromene-8-carboxylic acid
CID 172785985
N-(5-bromo-4-oxo-2-phenylchromen-6-yl)acetamide
CID 121366089
5,7-dihydroxy-2-phenyl-8-thiophen-3-ylchromen-4-one
CID 54769632
5,6,7,8-tetrafluoro-2-phenylchromen-4-one
CID 91434765
CID 172853606
CID 172853606
7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate
CID 86289529
5,7-dihydroxy-6,8-bis(methoxymethyl)-2-phenylchromen-4-one
CID 25141901
2-(4-bromophenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 139750916
5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one
CID 14889330

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-8-bromo-5-hydroxy-2-phenylchromen-4-one?
The IUPAC name of 7-acetyl-8-bromo-5-hydroxy-2-phenylchromen-4-one (CID 142673083) is 7-acetyl-8-bromo-5-hydroxy-2-phenylchromen-4-one.
What is the SMILES notation for 7-acetyl-8-bromo-5-hydroxy-2-phenylchromen-4-one?
The canonical SMILES for 7-acetyl-8-bromo-5-hydroxy-2-phenylchromen-4-one is CC(=O)c1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1Br.
What is the InChIKey of 7-acetyl-8-bromo-5-hydroxy-2-phenylchromen-4-one?
The InChIKey is AVTHANGUZZZPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrO4/c1-9(19)11-7-12(20)15-13(21)8-14(22-17(15)16(11)18)10-5-3-2-4-6-10/h2-8,20H,1H3.
What are the key properties of 7-acetyl-8-bromo-5-hydroxy-2-phenylchromen-4-one?
7-acetyl-8-bromo-5-hydroxy-2-phenylchromen-4-one has a molecular weight of 359.18 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-8-bromo-5-hydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 142673083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).