5-bromo-8-chloro-2-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one

C17H12BrClO5 — CID 146460571

IUPAC5-bromo-8-chloro-2-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
SMILESCOc1cc(O)c(-c2cc(=O)c3c(Br)ccc(Cl)c3o2)cc1OC
InChIInChI=1S/C17H12BrClO5/c1-22-14-5-8(11(20)6-15(14)23-2)13-7-12(21)16-9(18)3-4-10(19)17(16)24-13/h3-7,20H,1-2H3
InChIKeyZNZZFTHIPQGSRC-UHFFFAOYSA-N
MW411.64 g/mol
LogP4.60
Rot. Bonds3

About 5-bromo-8-chloro-2-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one

5-bromo-8-chloro-2-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one (PubChem CID 146460571) has the molecular formula C17H12BrClO5 and a molecular weight of 411.64 g/mol. Its IUPAC name is 5-bromo-8-chloro-2-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5-bromo-8-chloro-2-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
PubChem CID146460571
Molecular FormulaC17H12BrClO5
Molecular Weight411.64 g/mol
Exact Mass409.96
IUPAC Name5-bromo-8-chloro-2-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
SMILESCOc1cc(O)c(-c2cc(=O)c3c(Br)ccc(Cl)c3o2)cc1OC
InChIInChI=1S/C17H12BrClO5/c1-22-14-5-8(11(20)6-15(14)23-2)13-7-12(21)16-9(18)3-4-10(19)17(16)24-13/h3-7,20H,1-2H3
InChIKeyZNZZFTHIPQGSRC-UHFFFAOYSA-N
XLogP4.60
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.64
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-8-chloro-2-(2-hydroxy-4,5-dimethoxyphenyl)chromen-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

2-(2,4-dihydroxy-5-methoxyphenyl)-5,7,8-trihydroxychromen-4-one
CID 102403396
8-chloro-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 154647308
2-(3,4-dimethoxyphenyl)-5,7,8-trihydroxychromen-4-one
CID 71403910
5-hydroxy-2-(2-methoxyphenyl)chromen-4-one
CID 688677
2-(4,5-dimethoxy-2-methylphenyl)-5,6,7,8-tetramethoxychromen-4-one
CID 142929764
(2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683733
2-[3-[2-bromo-5-(8-chloro-4-oxochromen-2-yl)-4-methoxyphenoxy]propylamino]-2-oxoacetic acid
CID 154647338
2-(2-chlorophenyl)-7-hydroxy-5-methoxy-8-[(2R)-2-(methoxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one
CID 165066238
5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one
CID 5319463
3-[2-(8-chloro-4-oxochromen-2-yl)-4,5-dimethoxyphenoxy]cyclobutane-1-carboxylic acid
CID 146460085
ethyl 6-[2-bromo-5-(8-chloro-4-oxochromen-2-yl)-4-methoxyphenoxy]-2-oxohexanoate
CID 165062483
3-[5-(8-chloro-4-oxochromen-2-yl)-2,4-dimethoxyphenoxy]cyclobutane-1-carbaldehyde
CID 155004651

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-chloro-2-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one?
The IUPAC name of 5-bromo-8-chloro-2-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one (CID 146460571) is 5-bromo-8-chloro-2-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one.
What is the SMILES notation for 5-bromo-8-chloro-2-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one?
The canonical SMILES for 5-bromo-8-chloro-2-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one is COc1cc(O)c(-c2cc(=O)c3c(Br)ccc(Cl)c3o2)cc1OC.
What is the InChIKey of 5-bromo-8-chloro-2-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one?
The InChIKey is ZNZZFTHIPQGSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClO5/c1-22-14-5-8(11(20)6-15(14)23-2)13-7-12(21)16-9(18)3-4-10(19)17(16)24-13/h3-7,20H,1-2H3.
What are the key properties of 5-bromo-8-chloro-2-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one?
5-bromo-8-chloro-2-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one has a molecular weight of 411.64 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-chloro-2-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one is sourced from PubChem (CID 146460571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).