3-(4-bromophenyl)-3-methoxy-2-phenyl-2H-1-benzofuran

C21H17BrO2 — CID 164611249

IUPAC3-(4-bromophenyl)-3-methoxy-2-phenyl-2H-1-benzofuran
SMILESCOC1(c2ccc(Br)cc2)c2ccccc2OC1c1ccccc1
InChIInChI=1S/C21H17BrO2/c1-23-21(16-11-13-17(22)14-12-16)18-9-5-6-10-19(18)24-20(21)15-7-3-2-4-8-15/h2-14,20H,1H3
InChIKeyOLRXAHOWEVMSQY-UHFFFAOYSA-N
MW381.27 g/mol
LogP5.47
Rot. Bonds3

About 3-(4-bromophenyl)-3-methoxy-2-phenyl-2H-1-benzofuran

3-(4-bromophenyl)-3-methoxy-2-phenyl-2H-1-benzofuran (PubChem CID 164611249) has the molecular formula C21H17BrO2 and a molecular weight of 381.27 g/mol. Its IUPAC name is 3-(4-bromophenyl)-3-methoxy-2-phenyl-2H-1-benzofuran.

Molecular Properties

Compound Name3-(4-bromophenyl)-3-methoxy-2-phenyl-2H-1-benzofuran
PubChem CID164611249
Molecular FormulaC21H17BrO2
Molecular Weight381.27 g/mol
Exact Mass380.04
IUPAC Name3-(4-bromophenyl)-3-methoxy-2-phenyl-2H-1-benzofuran
SMILESCOC1(c2ccc(Br)cc2)c2ccccc2OC1c1ccccc1
InChIInChI=1S/C21H17BrO2/c1-23-21(16-11-13-17(22)14-12-16)18-9-5-6-10-19(18)24-20(21)15-7-3-2-4-8-15/h2-14,20H,1H3
InChIKeyOLRXAHOWEVMSQY-UHFFFAOYSA-N
XLogP5.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.27
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzene, 1-((2-(4-bromophenyl)-2-methylpropoxy)methyl)-3-(4-methoxyphenoxy)-
CID 3067146
Benzene, 1-((2-(4-bromophenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067209
2-(5-Bromo-2-trityloxyphenyl)-1,3-dioxolane
CID 4988550
(2R,3R)-3-(4-bromophenyl)-5-methoxy-2-phenyl-2,3-dihydro-1-benzofuran
CID 164609320
(2S,3S)-3-methoxy-2,3-diphenyl-2H-1-benzofuran
CID 164615588
(2S,3R)-3-(4-bromophenyl)-5-methoxy-2-phenyl-2,3-dihydro-1-benzofuran
CID 164618468
4-Bromo-4'-(pentyloxy)-1,1'-biphenyl
CID 2801388
1-Bromo-4-(4-octoxyphenyl)benzene
CID 2801787
4-(Benzyloxy)-4'-bromo-1,1'-biphenyl
CID 22465773
(1R,3R)-1-(4-bromophenyl)-3-(fluoromethyl)-3-(4-methoxyphenyl)-1H-2-benzofuran
CID 154713773
1-bromo-4-[4-[(3S)-3-(trifluoromethoxy)butoxy]phenyl]benzene
CID 168304724
1-[Bis(4-prop-2-ynoxyphenyl)methyl]-4-bromobenzene
CID 134929468

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-3-methoxy-2-phenyl-2H-1-benzofuran?
The IUPAC name of 3-(4-bromophenyl)-3-methoxy-2-phenyl-2H-1-benzofuran (CID 164611249) is 3-(4-bromophenyl)-3-methoxy-2-phenyl-2H-1-benzofuran.
What is the SMILES notation for 3-(4-bromophenyl)-3-methoxy-2-phenyl-2H-1-benzofuran?
The canonical SMILES for 3-(4-bromophenyl)-3-methoxy-2-phenyl-2H-1-benzofuran is COC1(c2ccc(Br)cc2)c2ccccc2OC1c1ccccc1.
What is the InChIKey of 3-(4-bromophenyl)-3-methoxy-2-phenyl-2H-1-benzofuran?
The InChIKey is OLRXAHOWEVMSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrO2/c1-23-21(16-11-13-17(22)14-12-16)18-9-5-6-10-19(18)24-20(21)15-7-3-2-4-8-15/h2-14,20H,1H3.
What are the key properties of 3-(4-bromophenyl)-3-methoxy-2-phenyl-2H-1-benzofuran?
3-(4-bromophenyl)-3-methoxy-2-phenyl-2H-1-benzofuran has a molecular weight of 381.27 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-3-methoxy-2-phenyl-2H-1-benzofuran is sourced from PubChem (CID 164611249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).