(5-bromothiophen-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone

C15H13BrO2S — CID 107960010

IUPAC(5-bromothiophen-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
SMILESCC1(C)Cc2cc(C(=O)c3csc(Br)c3)ccc2O1
InChIInChI=1S/C15H13BrO2S/c1-15(2)7-10-5-9(3-4-12(10)18-15)14(17)11-6-13(16)19-8-11/h3-6,8H,7H2,1-2H3
InChIKeyTZOVBDYGVIRBML-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.46
Rot. Bonds2

About (5-bromothiophen-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone

(5-bromothiophen-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone (PubChem CID 107960010) has the molecular formula C15H13BrO2S and a molecular weight of 337.24 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
PubChem CID107960010
Molecular FormulaC15H13BrO2S
Molecular Weight337.24 g/mol
Exact Mass335.98
IUPAC Name(5-bromothiophen-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
SMILESCC1(C)Cc2cc(C(=O)c3csc(Br)c3)ccc2O1
InChIInChI=1S/C15H13BrO2S/c1-15(2)7-10-5-9(3-4-12(10)18-15)14(17)11-6-13(16)19-8-11/h3-6,8H,7H2,1-2H3
InChIKeyTZOVBDYGVIRBML-UHFFFAOYSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
CID 62325416
(2,4-dibromophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
CID 107949853
(4-bromo-2-chlorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
CID 63496051
(5-chlorothiophen-2-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
CID 63496229
methyl 2,2-dimethyl-3H-1-benzofuran-5-carboxylate
CID 15284749
5-(2,2-dimethyl-3H-1-benzofuran-5-yl)thiophene-3-carboxylic acid
CID 79684700
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,2-trifluoroethanone
CID 81429341
6-(5-bromothiophene-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 114021023
3-amino-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-one
CID 117312423
(2-chloro-3-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
CID 81454812
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 62325780
(5-bromothiophen-3-yl)-(4-ethylphenyl)methanone
CID 105085904

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone (CID 107960010) is (5-bromothiophen-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone is CC1(C)Cc2cc(C(=O)c3csc(Br)c3)ccc2O1.
What is the InChIKey of (5-bromothiophen-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone?
The InChIKey is TZOVBDYGVIRBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2S/c1-15(2)7-10-5-9(3-4-12(10)18-15)14(17)11-6-13(16)19-8-11/h3-6,8H,7H2,1-2H3.
What are the key properties of (5-bromothiophen-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone?
(5-bromothiophen-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone has a molecular weight of 337.24 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 107960010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).