6-bromo-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one

C15H9BrClFO2 — CID 114674428

IUPAC6-bromo-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cc(F)cc(Cl)c2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H9BrClFO2/c16-9-1-2-14-12(5-9)13(19)7-15(20-14)8-3-10(17)6-11(18)4-8/h1-6,15H,7H2
InChIKeyDXLGOTLVTSUQRU-UHFFFAOYSA-N
MW355.59 g/mol
LogP4.95
Rot. Bonds1

About 6-bromo-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one

6-bromo-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one (PubChem CID 114674428) has the molecular formula C15H9BrClFO2 and a molecular weight of 355.59 g/mol. Its IUPAC name is 6-bromo-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-bromo-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one
PubChem CID114674428
Molecular FormulaC15H9BrClFO2
Molecular Weight355.59 g/mol
Exact Mass353.95
IUPAC Name6-bromo-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cc(F)cc(Cl)c2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H9BrClFO2/c16-9-1-2-14-12(5-9)13(19)7-15(20-14)8-3-10(17)6-11(18)4-8/h1-6,15H,7H2
InChIKeyDXLGOTLVTSUQRU-UHFFFAOYSA-N
XLogP4.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.59
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one
CID 114672978
6-chloro-2-(3,5-difluorophenyl)-2,3-dihydrochromen-4-one
CID 106534728
6-bromo-2-(3,4,5-trifluorophenyl)-2,3-dihydrochromen-4-one
CID 114674398
(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one
CID 71059551
6-chloro-2-(3,5-dichlorophenyl)-2,3-dihydrochromen-4-one
CID 114672721
6-bromo-2-(2,5-difluorophenyl)-2,3-dihydrochromen-4-one
CID 114674291
6-bromo-2-(2-bromo-4-chlorophenyl)-2,3-dihydrochromen-4-one
CID 114674168
6-bromo-2-(4-propan-2-ylphenyl)-2,3-dihydrochromen-4-one
CID 114674444
2-(3,5-dichlorophenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674547
6-bromo-2-(2-fluorophenyl)-2,3-dihydrochromen-4-one
CID 58424087
6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 114674234
6-bromo-2-(3-iodophenyl)-2,3-dihydrochromen-4-one
CID 114283242

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-bromo-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one (CID 114674428) is 6-bromo-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-bromo-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-bromo-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one is O=C1CC(c2cc(F)cc(Cl)c2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one?
The InChIKey is DXLGOTLVTSUQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFO2/c16-9-1-2-14-12(5-9)13(19)7-15(20-14)8-3-10(17)6-11(18)4-8/h1-6,15H,7H2.
What are the key properties of 6-bromo-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one?
6-bromo-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one has a molecular weight of 355.59 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114674428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).