(1R,3R)-1-(4-bromophenyl)-3-(fluoromethyl)-3-(4-methoxyphenyl)-1H-2-benzofuran

C22H18BrFO2 — CID 154713773

IUPAC(1R,3R)-1-(4-bromophenyl)-3-(fluoromethyl)-3-(4-methoxyphenyl)-1H-2-benzofuran
SMILESCOc1ccc([C@@]2(CF)O[C@H](c3ccc(Br)cc3)c3ccccc32)cc1
InChIInChI=1S/C22H18BrFO2/c1-25-18-12-8-16(9-13-18)22(14-24)20-5-3-2-4-19(20)21(26-22)15-6-10-17(23)11-7-15/h2-13,21H,14H2,1H3/t21-,22-/m1/s1
InChIKeyGOZSPUNRJNPGIQ-FGZHOGPDSA-N
MW413.29 g/mol
LogP5.79
Rot. Bonds4

About (1R,3R)-1-(4-bromophenyl)-3-(fluoromethyl)-3-(4-methoxyphenyl)-1H-2-benzofuran

(1R,3R)-1-(4-bromophenyl)-3-(fluoromethyl)-3-(4-methoxyphenyl)-1H-2-benzofuran (PubChem CID 154713773) has the molecular formula C22H18BrFO2 and a molecular weight of 413.29 g/mol. Its IUPAC name is (1R,3R)-1-(4-bromophenyl)-3-(fluoromethyl)-3-(4-methoxyphenyl)-1H-2-benzofuran.

Molecular Properties

Compound Name(1R,3R)-1-(4-bromophenyl)-3-(fluoromethyl)-3-(4-methoxyphenyl)-1H-2-benzofuran
PubChem CID154713773
Molecular FormulaC22H18BrFO2
Molecular Weight413.29 g/mol
Exact Mass412.05
IUPAC Name(1R,3R)-1-(4-bromophenyl)-3-(fluoromethyl)-3-(4-methoxyphenyl)-1H-2-benzofuran
SMILESCOc1ccc([C@@]2(CF)O[C@H](c3ccc(Br)cc3)c3ccccc32)cc1
InChIInChI=1S/C22H18BrFO2/c1-25-18-12-8-16(9-13-18)22(14-24)20-5-3-2-4-19(20)21(26-22)15-6-10-17(23)11-7-15/h2-13,21H,14H2,1H3/t21-,22-/m1/s1
InChIKeyGOZSPUNRJNPGIQ-FGZHOGPDSA-N
XLogP5.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.29
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,3R)-1-(4-bromophenyl)-3-(fluoromethyl)-3-(4-methoxyphenyl)-1H-2-benzofuran 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

(1S)-1-(4-methoxyphenyl)spiro[1H-2-benzofuran-3,4'-oxane]
CID 164668462
2-bromo-6-(4-methoxyphenyl)-6H-benzo[c]chromene
CID 162645614
(1S)-5,6-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-1H-2-benzofuran
CID 164668460
3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
CID 10955671
6-(4-methoxyphenyl)-6H-benzo[c]chromene
CID 86088499
(2S,4S)-6-bromo-2-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-1H-3,1-benzoxazine
CID 2191513
anisole;1-bromo-4-(4-bromophenyl)benzene
CID 159969810
N-tert-butyl-3-(4-methoxyphenyl)-3H-2-benzofuran-1-imine
CID 135002275
1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-indene
CID 132961670
15-(4-methoxyphenyl)-1,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
CID 132569222
3-[1-(4-methoxyphenyl)-3H-2-benzofuran-1-yl]propanenitrile
CID 132576519
9,9-bis(4-methoxyphenyl)xanthene
CID 139202599

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-1-(4-bromophenyl)-3-(fluoromethyl)-3-(4-methoxyphenyl)-1H-2-benzofuran?
The IUPAC name of (1R,3R)-1-(4-bromophenyl)-3-(fluoromethyl)-3-(4-methoxyphenyl)-1H-2-benzofuran (CID 154713773) is (1R,3R)-1-(4-bromophenyl)-3-(fluoromethyl)-3-(4-methoxyphenyl)-1H-2-benzofuran.
What is the SMILES notation for (1R,3R)-1-(4-bromophenyl)-3-(fluoromethyl)-3-(4-methoxyphenyl)-1H-2-benzofuran?
The canonical SMILES for (1R,3R)-1-(4-bromophenyl)-3-(fluoromethyl)-3-(4-methoxyphenyl)-1H-2-benzofuran is COc1ccc([C@@]2(CF)O[C@H](c3ccc(Br)cc3)c3ccccc32)cc1.
What is the InChIKey of (1R,3R)-1-(4-bromophenyl)-3-(fluoromethyl)-3-(4-methoxyphenyl)-1H-2-benzofuran?
The InChIKey is GOZSPUNRJNPGIQ-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H18BrFO2/c1-25-18-12-8-16(9-13-18)22(14-24)20-5-3-2-4-19(20)21(26-22)15-6-10-17(23)11-7-15/h2-13,21H,14H2,1H3/t21-,22-/m1/s1.
What are the key properties of (1R,3R)-1-(4-bromophenyl)-3-(fluoromethyl)-3-(4-methoxyphenyl)-1H-2-benzofuran?
(1R,3R)-1-(4-bromophenyl)-3-(fluoromethyl)-3-(4-methoxyphenyl)-1H-2-benzofuran has a molecular weight of 413.29 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-1-(4-bromophenyl)-3-(fluoromethyl)-3-(4-methoxyphenyl)-1H-2-benzofuran is sourced from PubChem (CID 154713773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).