3-(4-bromophenyl)-7-[(3,4-dichlorophenyl)methoxy]chromen-4-one

C22H13BrCl2O3 — CID 4627849

IUPAC3-(4-bromophenyl)-7-[(3,4-dichlorophenyl)methoxy]chromen-4-one
SMILESO=c1c(-c2ccc(Br)cc2)coc2cc(OCc3ccc(Cl)c(Cl)c3)ccc12
InChIInChI=1S/C22H13BrCl2O3/c23-15-4-2-14(3-5-15)18-12-28-21-10-16(6-7-17(21)22(18)26)27-11-13-1-8-19(24)20(25)9-13/h1-10,12H,11H2
InChIKeyYBTLZSHYZDKTPG-UHFFFAOYSA-N
MW476.15 g/mol
LogP7.11
Rot. Bonds4

About 3-(4-bromophenyl)-7-[(3,4-dichlorophenyl)methoxy]chromen-4-one

3-(4-bromophenyl)-7-[(3,4-dichlorophenyl)methoxy]chromen-4-one (PubChem CID 4627849) has the molecular formula C22H13BrCl2O3 and a molecular weight of 476.15 g/mol. Its IUPAC name is 3-(4-bromophenyl)-7-[(3,4-dichlorophenyl)methoxy]chromen-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-7-[(3,4-dichlorophenyl)methoxy]chromen-4-one
PubChem CID4627849
Molecular FormulaC22H13BrCl2O3
Molecular Weight476.15 g/mol
Exact Mass473.94
IUPAC Name3-(4-bromophenyl)-7-[(3,4-dichlorophenyl)methoxy]chromen-4-one
SMILESO=c1c(-c2ccc(Br)cc2)coc2cc(OCc3ccc(Cl)c(Cl)c3)ccc12
InChIInChI=1S/C22H13BrCl2O3/c23-15-4-2-14(3-5-15)18-12-28-21-10-16(6-7-17(21)22(18)26)27-11-13-1-8-19(24)20(25)9-13/h1-10,12H,11H2
InChIKeyYBTLZSHYZDKTPG-UHFFFAOYSA-N
XLogP7.11
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.15
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-7-[(4-methylphenyl)methoxy]chromen-4-one
CID 2013461
[3-(4-chlorophenyl)-4-oxochromen-7-yl] 4-bromobenzoate
CID 3982565
3-(4-hydroxyphenyl)-7-[[3-(5H-tetrazol-5-yl)phenyl]methoxy]chromen-4-one
CID 67279126
3-(4-chlorophenyl)-7-[(2,5-dimethylphenyl)methoxy]chromen-4-one
CID 2000257
N-hydroxy-4-[(4-oxo-3-phenylchromen-7-yl)oxymethyl]benzeneamine oxide
CID 163174518
7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one
CID 2016693
ethyl 4-[[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxymethyl]benzoate
CID 67279205
[3-(4-bromophenyl)-4-oxochromen-7-yl] cyclopropanecarboxylate
CID 2012086
7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one
CID 5025590
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
3-phenyl-7-(2-phenylethoxy)chromen-4-one
CID 23878926
2-trimethylsilylethyl 3-[[3-(4-carbamoylphenyl)-4-oxochromen-7-yl]oxymethyl]benzoate
CID 42606495

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-7-[(3,4-dichlorophenyl)methoxy]chromen-4-one?
The IUPAC name of 3-(4-bromophenyl)-7-[(3,4-dichlorophenyl)methoxy]chromen-4-one (CID 4627849) is 3-(4-bromophenyl)-7-[(3,4-dichlorophenyl)methoxy]chromen-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-7-[(3,4-dichlorophenyl)methoxy]chromen-4-one?
The canonical SMILES for 3-(4-bromophenyl)-7-[(3,4-dichlorophenyl)methoxy]chromen-4-one is O=c1c(-c2ccc(Br)cc2)coc2cc(OCc3ccc(Cl)c(Cl)c3)ccc12.
What is the InChIKey of 3-(4-bromophenyl)-7-[(3,4-dichlorophenyl)methoxy]chromen-4-one?
The InChIKey is YBTLZSHYZDKTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrCl2O3/c23-15-4-2-14(3-5-15)18-12-28-21-10-16(6-7-17(21)22(18)26)27-11-13-1-8-19(24)20(25)9-13/h1-10,12H,11H2.
What are the key properties of 3-(4-bromophenyl)-7-[(3,4-dichlorophenyl)methoxy]chromen-4-one?
3-(4-bromophenyl)-7-[(3,4-dichlorophenyl)methoxy]chromen-4-one has a molecular weight of 476.15 g/mol, XLogP of 7.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-7-[(3,4-dichlorophenyl)methoxy]chromen-4-one is sourced from PubChem (CID 4627849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).