1-(3-bromothiophen-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone

C16H15BrO3S — CID 43799801

IUPAC1-(3-bromothiophen-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone
SMILESCC1(C)Cc2cccc(OCC(=O)c3sccc3Br)c2O1
InChIInChI=1S/C16H15BrO3S/c1-16(2)8-10-4-3-5-13(14(10)20-16)19-9-12(18)15-11(17)6-7-21-15/h3-7H,8-9H2,1-2H3
InChIKeyUMMXNLYWXPHCOA-UHFFFAOYSA-N
MW367.26 g/mol
LogP4.49
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone

1-(3-bromothiophen-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone (PubChem CID 43799801) has the molecular formula C16H15BrO3S and a molecular weight of 367.26 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone
PubChem CID43799801
Molecular FormulaC16H15BrO3S
Molecular Weight367.26 g/mol
Exact Mass365.99
IUPAC Name1-(3-bromothiophen-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone
SMILESCC1(C)Cc2cccc(OCC(=O)c3sccc3Br)c2O1
InChIInChI=1S/C16H15BrO3S/c1-16(2)8-10-4-3-5-13(14(10)20-16)19-9-12(18)15-11(17)6-7-21-15/h3-7H,8-9H2,1-2H3
InChIKeyUMMXNLYWXPHCOA-UHFFFAOYSA-N
XLogP4.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-bromothiophen-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone with MolForge

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(furan-2-yl)ethanone
CID 43412852
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,N-di(propan-2-yl)acetamide
CID 8551057
N-(4-bromophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 7946386
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,N-bis(2-methylpropyl)acetamide
CID 8551074
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-methylbut-2-enoic acid
CID 77005442
2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]ethyl-dimethylazanium
CID 7858818
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-N-phenylacetamide
CID 8551594
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855738
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610605
1-(3-bromothiophen-2-yl)-2-(2-tert-butylphenoxy)ethanone
CID 43799738
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)acetamide
CID 7899894
[(1S)-1-cyanoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855724

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone (CID 43799801) is 1-(3-bromothiophen-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone is CC1(C)Cc2cccc(OCC(=O)c3sccc3Br)c2O1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone?
The InChIKey is UMMXNLYWXPHCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3S/c1-16(2)8-10-4-3-5-13(14(10)20-16)19-9-12(18)15-11(17)6-7-21-15/h3-7H,8-9H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone?
1-(3-bromothiophen-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone has a molecular weight of 367.26 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone is sourced from PubChem (CID 43799801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).