3-bromo-5-methoxy-2-(4-propan-2-ylphenyl)-1-benzofuran

C18H17BrO2 — CID 155702191

IUPAC3-bromo-5-methoxy-2-(4-propan-2-ylphenyl)-1-benzofuran
SMILESCOc1ccc2oc(-c3ccc(C(C)C)cc3)c(Br)c2c1
InChIInChI=1S/C18H17BrO2/c1-11(2)12-4-6-13(7-5-12)18-17(19)15-10-14(20-3)8-9-16(15)21-18/h4-11H,1-3H3
InChIKeyUZGZLAVHBOOJRM-UHFFFAOYSA-N
MW345.24 g/mol
LogP5.99
Rot. Bonds3

About 3-bromo-5-methoxy-2-(4-propan-2-ylphenyl)-1-benzofuran

3-bromo-5-methoxy-2-(4-propan-2-ylphenyl)-1-benzofuran (PubChem CID 155702191) has the molecular formula C18H17BrO2 and a molecular weight of 345.24 g/mol. Its IUPAC name is 3-bromo-5-methoxy-2-(4-propan-2-ylphenyl)-1-benzofuran.

Molecular Properties

Compound Name3-bromo-5-methoxy-2-(4-propan-2-ylphenyl)-1-benzofuran
PubChem CID155702191
Molecular FormulaC18H17BrO2
Molecular Weight345.24 g/mol
Exact Mass344.04
IUPAC Name3-bromo-5-methoxy-2-(4-propan-2-ylphenyl)-1-benzofuran
SMILESCOc1ccc2oc(-c3ccc(C(C)C)cc3)c(Br)c2c1
InChIInChI=1S/C18H17BrO2/c1-11(2)12-4-6-13(7-5-12)18-17(19)15-10-14(20-3)8-9-16(15)21-18/h4-11H,1-3H3
InChIKeyUZGZLAVHBOOJRM-UHFFFAOYSA-N
XLogP5.99
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.24
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran
CID 89479970
3-bromo-6-methoxy-2-(4-methylsulfanylphenyl)chromen-4-one
CID 11132577
3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 14804651
3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran
CID 89479658
2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
CID 10316448
3-bromo-2,5-di(propan-2-yl)-1-benzofuran
CID 59463798
4-bromo-7-methoxy-3-(4-propan-2-ylphenyl)-1,2-dihydronaphthalene
CID 139336496
(1S)-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine
CID 28924769
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
CID 68679956
lithium;bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran;butane;3-[3,3,4,4,5,5-hexafluoro-2-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]cyclopenten-1-yl]-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran;methane;1,2,3,3,4,4,5,5-octafluorocyclopentene
CID 160773650
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran
CID 141261100

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-2-(4-propan-2-ylphenyl)-1-benzofuran?
The IUPAC name of 3-bromo-5-methoxy-2-(4-propan-2-ylphenyl)-1-benzofuran (CID 155702191) is 3-bromo-5-methoxy-2-(4-propan-2-ylphenyl)-1-benzofuran.
What is the SMILES notation for 3-bromo-5-methoxy-2-(4-propan-2-ylphenyl)-1-benzofuran?
The canonical SMILES for 3-bromo-5-methoxy-2-(4-propan-2-ylphenyl)-1-benzofuran is COc1ccc2oc(-c3ccc(C(C)C)cc3)c(Br)c2c1.
What is the InChIKey of 3-bromo-5-methoxy-2-(4-propan-2-ylphenyl)-1-benzofuran?
The InChIKey is UZGZLAVHBOOJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrO2/c1-11(2)12-4-6-13(7-5-12)18-17(19)15-10-14(20-3)8-9-16(15)21-18/h4-11H,1-3H3.
What are the key properties of 3-bromo-5-methoxy-2-(4-propan-2-ylphenyl)-1-benzofuran?
3-bromo-5-methoxy-2-(4-propan-2-ylphenyl)-1-benzofuran has a molecular weight of 345.24 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-2-(4-propan-2-ylphenyl)-1-benzofuran is sourced from PubChem (CID 155702191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).