8-bromo-7-hydroxy-2-methyl-3-phenylchromen-4-one;7-hydroxy-2-methyl-3-phenylchromen-4-one

C32H23BrO6 — CID 159926882

IUPAC8-bromo-7-hydroxy-2-methyl-3-phenylchromen-4-one;7-hydroxy-2-methyl-3-phenylchromen-4-one
SMILESCc1oc2c(Br)c(O)ccc2c(=O)c1-c1ccccc1.Cc1oc2cc(O)ccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C16H11BrO3.C16H12O3/c1-9-13(10-5-3-2-4-6-10)15(19)11-7-8-12(18)14(17)16(11)20-9;1-10-15(11-5-3-2-4-6-11)16(18)13-8-7-12(17)9-14(13)19-10/h2-8,18H,1H3;2-9,17H,1H3
InChIKeyNZDABKYEMFYREB-UHFFFAOYSA-N
MW583.43 g/mol
LogP7.71
Rot. Bonds2

About 8-bromo-7-hydroxy-2-methyl-3-phenylchromen-4-one;7-hydroxy-2-methyl-3-phenylchromen-4-one

8-bromo-7-hydroxy-2-methyl-3-phenylchromen-4-one;7-hydroxy-2-methyl-3-phenylchromen-4-one (PubChem CID 159926882) has the molecular formula C32H23BrO6 and a molecular weight of 583.43 g/mol. Its IUPAC name is 8-bromo-7-hydroxy-2-methyl-3-phenylchromen-4-one;7-hydroxy-2-methyl-3-phenylchromen-4-one.

Molecular Properties

Compound Name8-bromo-7-hydroxy-2-methyl-3-phenylchromen-4-one;7-hydroxy-2-methyl-3-phenylchromen-4-one
PubChem CID159926882
Molecular FormulaC32H23BrO6
Molecular Weight583.43 g/mol
Exact Mass582.07
IUPAC Name8-bromo-7-hydroxy-2-methyl-3-phenylchromen-4-one;7-hydroxy-2-methyl-3-phenylchromen-4-one
SMILESCc1oc2c(Br)c(O)ccc2c(=O)c1-c1ccccc1.Cc1oc2cc(O)ccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C16H11BrO3.C16H12O3/c1-9-13(10-5-3-2-4-6-10)15(19)11-7-8-12(18)14(17)16(11)20-9;1-10-15(11-5-3-2-4-6-11)16(18)13-8-7-12(17)9-14(13)19-10/h2-8,18H,1H3;2-9,17H,1H3
InChIKeyNZDABKYEMFYREB-UHFFFAOYSA-N
XLogP7.71
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.43
LogP ≤ 57.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-bromo-7-hydroxy-2-methyl-3-phenylchromen-4-one;7-hydroxy-2-methyl-3-phenylchromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-hydroxy-2-methyl-3-(2-phenylphenoxy)chromen-4-one
CID 7140080
3-(4-bromophenyl)-7-hydroxy-4-phenylchromen-2-one
CID 6282046
7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one
CID 5408165
8-(3-aminopentan-3-yl)-7-hydroxy-2-methyl-3-phenylchromen-4-one
CID 21159664
7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one
CID 5361809
7-hydroxy-2-methyl-3-(2-phenylpyrazol-3-yl)chromen-4-one
CID 23270003
3-benzyl-7-hydroxy-2-methylchromen-4-one
CID 86159483
7-hydroxy-2-methyl-3-(1,3-thiazol-4-yl)chromen-4-one
CID 5420834
2,7-dimethyl-3-phenyl-1-benzofuran-6-ol
CID 58753788
7-hydroxy-2-phenylchromen-4-one
CID 5281894
7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one
CID 5025590
[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl] 2-chloro-2-phenylacetate
CID 110274423

Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-hydroxy-2-methyl-3-phenylchromen-4-one;7-hydroxy-2-methyl-3-phenylchromen-4-one?
The IUPAC name of 8-bromo-7-hydroxy-2-methyl-3-phenylchromen-4-one;7-hydroxy-2-methyl-3-phenylchromen-4-one (CID 159926882) is 8-bromo-7-hydroxy-2-methyl-3-phenylchromen-4-one;7-hydroxy-2-methyl-3-phenylchromen-4-one.
What is the SMILES notation for 8-bromo-7-hydroxy-2-methyl-3-phenylchromen-4-one;7-hydroxy-2-methyl-3-phenylchromen-4-one?
The canonical SMILES for 8-bromo-7-hydroxy-2-methyl-3-phenylchromen-4-one;7-hydroxy-2-methyl-3-phenylchromen-4-one is Cc1oc2c(Br)c(O)ccc2c(=O)c1-c1ccccc1.Cc1oc2cc(O)ccc2c(=O)c1-c1ccccc1.
What is the InChIKey of 8-bromo-7-hydroxy-2-methyl-3-phenylchromen-4-one;7-hydroxy-2-methyl-3-phenylchromen-4-one?
The InChIKey is NZDABKYEMFYREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO3.C16H12O3/c1-9-13(10-5-3-2-4-6-10)15(19)11-7-8-12(18)14(17)16(11)20-9;1-10-15(11-5-3-2-4-6-11)16(18)13-8-7-12(17)9-14(13)19-10/h2-8,18H,1H3;2-9,17H,1H3.
What are the key properties of 8-bromo-7-hydroxy-2-methyl-3-phenylchromen-4-one;7-hydroxy-2-methyl-3-phenylchromen-4-one?
8-bromo-7-hydroxy-2-methyl-3-phenylchromen-4-one;7-hydroxy-2-methyl-3-phenylchromen-4-one has a molecular weight of 583.43 g/mol, XLogP of 7.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-hydroxy-2-methyl-3-phenylchromen-4-one;7-hydroxy-2-methyl-3-phenylchromen-4-one is sourced from PubChem (CID 159926882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).