3-[2-(4-bromophenyl)-3-fluoro-1H-inden-1-yl]chromen-4-one

C24H14BrFO2 — CID 155934111

IUPAC3-[2-(4-bromophenyl)-3-fluoro-1H-inden-1-yl]chromen-4-one
SMILESO=c1c(C2C(c3ccc(Br)cc3)=C(F)c3ccccc32)coc2ccccc12
InChIInChI=1S/C24H14BrFO2/c25-15-11-9-14(10-12-15)21-22(16-5-1-2-6-17(16)23(21)26)19-13-28-20-8-4-3-7-18(20)24(19)27/h1-13,22H
InChIKeyFBJSXROVRFBREV-UHFFFAOYSA-N
MW433.28 g/mol
LogP6.54
Rot. Bonds2

About 3-[2-(4-bromophenyl)-3-fluoro-1H-inden-1-yl]chromen-4-one

3-[2-(4-bromophenyl)-3-fluoro-1H-inden-1-yl]chromen-4-one (PubChem CID 155934111) has the molecular formula C24H14BrFO2 and a molecular weight of 433.28 g/mol. Its IUPAC name is 3-[2-(4-bromophenyl)-3-fluoro-1H-inden-1-yl]chromen-4-one.

Molecular Properties

Compound Name3-[2-(4-bromophenyl)-3-fluoro-1H-inden-1-yl]chromen-4-one
PubChem CID155934111
Molecular FormulaC24H14BrFO2
Molecular Weight433.28 g/mol
Exact Mass432.02
IUPAC Name3-[2-(4-bromophenyl)-3-fluoro-1H-inden-1-yl]chromen-4-one
SMILESO=c1c(C2C(c3ccc(Br)cc3)=C(F)c3ccccc32)coc2ccccc12
InChIInChI=1S/C24H14BrFO2/c25-15-11-9-14(10-12-15)21-22(16-5-1-2-6-17(16)23(21)26)19-13-28-20-8-4-3-7-18(20)24(19)27/h1-13,22H
InChIKeyFBJSXROVRFBREV-UHFFFAOYSA-N
XLogP6.54
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.28
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-[3-bromo-2-(2-bromoethyl)-1H-inden-1-yl]chromen-4-one
CID 155934281
3-phenylchromen-4-one;phosphane
CID 174413449
3-[(4-bromophenoxy)methyl]chromen-4-one
CID 166068093
ethane;3-phenylchromen-4-one
CID 90946880
3-(4-amino-2-fluorophenyl)chromen-4-one
CID 167449525
3-(2-aminoethyl)chromen-4-one
CID 55212083
3-(2,5-difluorophenyl)chromen-4-one
CID 141334280
CID 143974471
CID 143974471
amino formate;3-phenylchromen-4-one
CID 174767747
3-(4-bromophenyl)-5-fluoro-1-benzofuran
CID 10565480
3-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)chromen-4-one
CID 164686100
benzene;3-hydroxychromen-4-one
CID 175480795

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromophenyl)-3-fluoro-1H-inden-1-yl]chromen-4-one?
The IUPAC name of 3-[2-(4-bromophenyl)-3-fluoro-1H-inden-1-yl]chromen-4-one (CID 155934111) is 3-[2-(4-bromophenyl)-3-fluoro-1H-inden-1-yl]chromen-4-one.
What is the SMILES notation for 3-[2-(4-bromophenyl)-3-fluoro-1H-inden-1-yl]chromen-4-one?
The canonical SMILES for 3-[2-(4-bromophenyl)-3-fluoro-1H-inden-1-yl]chromen-4-one is O=c1c(C2C(c3ccc(Br)cc3)=C(F)c3ccccc32)coc2ccccc12.
What is the InChIKey of 3-[2-(4-bromophenyl)-3-fluoro-1H-inden-1-yl]chromen-4-one?
The InChIKey is FBJSXROVRFBREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14BrFO2/c25-15-11-9-14(10-12-15)21-22(16-5-1-2-6-17(16)23(21)26)19-13-28-20-8-4-3-7-18(20)24(19)27/h1-13,22H.
What are the key properties of 3-[2-(4-bromophenyl)-3-fluoro-1H-inden-1-yl]chromen-4-one?
3-[2-(4-bromophenyl)-3-fluoro-1H-inden-1-yl]chromen-4-one has a molecular weight of 433.28 g/mol, XLogP of 6.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromophenyl)-3-fluoro-1H-inden-1-yl]chromen-4-one is sourced from PubChem (CID 155934111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).