8-bromo-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one

C18H15BrO6 — CID 15870477

IUPAC8-bromo-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(Br)c3o2)cc1
InChIInChI=1S/C18H15BrO6/c1-22-10-6-4-9(5-7-10)12-8-11(20)13-15(21)18(24-3)17(23-2)14(19)16(13)25-12/h4-8,21H,1-3H3
InChIKeyRXQAJMCKDCAYAA-UHFFFAOYSA-N
MW407.22 g/mol
LogP3.95
Rot. Bonds4

About 8-bromo-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one

8-bromo-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one (PubChem CID 15870477) has the molecular formula C18H15BrO6 and a molecular weight of 407.22 g/mol. Its IUPAC name is 8-bromo-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name8-bromo-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
PubChem CID15870477
Molecular FormulaC18H15BrO6
Molecular Weight407.22 g/mol
Exact Mass406.01
IUPAC Name8-bromo-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(Br)c3o2)cc1
InChIInChI=1S/C18H15BrO6/c1-22-10-6-4-9(5-7-10)12-8-11(20)13-15(21)18(24-3)17(23-2)14(19)16(13)25-12/h4-8,21H,1-3H3
InChIKeyRXQAJMCKDCAYAA-UHFFFAOYSA-N
XLogP3.95
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.22
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-2-(4-methoxyphenyl)-5,8-dimethylchromen-4-one
CID 145159791
7-hydroxy-5,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-6-sulfonic acid
CID 102584177
6,7,8-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 16657777
5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 73157763
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-propan-2-ylchromen-4-one
CID 162943028
7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate
CID 164575986
8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 130427398
[7,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromen-5-yl] acetate
CID 23259396
7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one
CID 91431770
5,7-dihydroxy-2-(4-methoxyphenyl)-8-prop-1-ynylchromen-4-one
CID 175811145
4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 102345821
2-(4-bromophenyl)-7-methoxychromen-4-one
CID 25032618

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 8-bromo-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one (CID 15870477) is 8-bromo-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 8-bromo-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 8-bromo-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(Br)c3o2)cc1.
What is the InChIKey of 8-bromo-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one?
The InChIKey is RXQAJMCKDCAYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO6/c1-22-10-6-4-9(5-7-10)12-8-11(20)13-15(21)18(24-3)17(23-2)14(19)16(13)25-12/h4-8,21H,1-3H3.
What are the key properties of 8-bromo-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one?
8-bromo-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one has a molecular weight of 407.22 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 15870477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).