3-(3-bromo-2,5-dimethoxyphenyl)-7-hydroxychromen-4-one

C17H13BrO5 — CID 69367923

IUPAC3-(3-bromo-2,5-dimethoxyphenyl)-7-hydroxychromen-4-one
SMILESCOc1cc(Br)c(OC)c(-c2coc3cc(O)ccc3c2=O)c1
InChIInChI=1S/C17H13BrO5/c1-21-10-6-12(17(22-2)14(18)7-10)13-8-23-15-5-9(19)3-4-11(15)16(13)20/h3-8,19H,1-2H3
InChIKeyBOSPWTUBISYYGL-UHFFFAOYSA-N
MW377.19 g/mol
LogP3.95
Rot. Bonds3

About 3-(3-bromo-2,5-dimethoxyphenyl)-7-hydroxychromen-4-one

3-(3-bromo-2,5-dimethoxyphenyl)-7-hydroxychromen-4-one (PubChem CID 69367923) has the molecular formula C17H13BrO5 and a molecular weight of 377.19 g/mol. Its IUPAC name is 3-(3-bromo-2,5-dimethoxyphenyl)-7-hydroxychromen-4-one.

Molecular Properties

Compound Name3-(3-bromo-2,5-dimethoxyphenyl)-7-hydroxychromen-4-one
PubChem CID69367923
Molecular FormulaC17H13BrO5
Molecular Weight377.19 g/mol
Exact Mass375.99
IUPAC Name3-(3-bromo-2,5-dimethoxyphenyl)-7-hydroxychromen-4-one
SMILESCOc1cc(Br)c(OC)c(-c2coc3cc(O)ccc3c2=O)c1
InChIInChI=1S/C17H13BrO5/c1-21-10-6-12(17(22-2)14(18)7-10)13-8-23-15-5-9(19)3-4-11(15)16(13)20/h3-8,19H,1-2H3
InChIKeyBOSPWTUBISYYGL-UHFFFAOYSA-N
XLogP3.95
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-hydroxy-3-[2,4,5-tri(propan-2-yl)phenyl]chromen-4-one
CID 11024901
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one
CID 102347784
3-(4-fluoro-2-methylphenyl)-7-hydroxychromen-4-one
CID 71483517
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
7-hydroxy-3-methylchromen-4-one
CID 13419593
3-(4-acetylphenyl)-7-hydroxychromen-4-one
CID 71506237
7-hydroxy-3-(1-methylpyridin-1-ium-2-yl)chromen-4-one
CID 5397271
3-[2-[(3,3-dimethyloxiran-2-yl)methyl]-4,6-dihydroxy-3-methoxyphenyl]-7-hydroxychromen-4-one
CID 5379641
7-hydroxy-3-(3-methylanilino)chromen-4-one
CID 71482353
3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
CID 10804003
6-bromo-3-(3,5-dibromo-4-hydroxyphenyl)-7-methoxychromen-4-one
CID 46928809

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2,5-dimethoxyphenyl)-7-hydroxychromen-4-one?
The IUPAC name of 3-(3-bromo-2,5-dimethoxyphenyl)-7-hydroxychromen-4-one (CID 69367923) is 3-(3-bromo-2,5-dimethoxyphenyl)-7-hydroxychromen-4-one.
What is the SMILES notation for 3-(3-bromo-2,5-dimethoxyphenyl)-7-hydroxychromen-4-one?
The canonical SMILES for 3-(3-bromo-2,5-dimethoxyphenyl)-7-hydroxychromen-4-one is COc1cc(Br)c(OC)c(-c2coc3cc(O)ccc3c2=O)c1.
What is the InChIKey of 3-(3-bromo-2,5-dimethoxyphenyl)-7-hydroxychromen-4-one?
The InChIKey is BOSPWTUBISYYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrO5/c1-21-10-6-12(17(22-2)14(18)7-10)13-8-23-15-5-9(19)3-4-11(15)16(13)20/h3-8,19H,1-2H3.
What are the key properties of 3-(3-bromo-2,5-dimethoxyphenyl)-7-hydroxychromen-4-one?
3-(3-bromo-2,5-dimethoxyphenyl)-7-hydroxychromen-4-one has a molecular weight of 377.19 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2,5-dimethoxyphenyl)-7-hydroxychromen-4-one is sourced from PubChem (CID 69367923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).