(5-bromo-4-methylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone

C15H13BrO2S — CID 79981125

IUPAC(5-bromo-4-methylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESCc1cc(C(=O)c2ccc3c(c2)CC(C)O3)sc1Br
InChIInChI=1S/C15H13BrO2S/c1-8-5-13(19-15(8)16)14(17)10-3-4-12-11(7-10)6-9(2)18-12/h3-5,7,9H,6H2,1-2H3
InChIKeyLRTSBKHMETZLMT-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.37
Rot. Bonds2

About (5-bromo-4-methylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone

(5-bromo-4-methylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone (PubChem CID 79981125) has the molecular formula C15H13BrO2S and a molecular weight of 337.24 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
PubChem CID79981125
Molecular FormulaC15H13BrO2S
Molecular Weight337.24 g/mol
Exact Mass335.98
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESCc1cc(C(=O)c2ccc3c(c2)CC(C)O3)sc1Br
InChIInChI=1S/C15H13BrO2S/c1-8-5-13(19-15(8)16)14(17)10-3-4-12-11(7-10)6-9(2)18-12/h3-5,7,9H,6H2,1-2H3
InChIKeyLRTSBKHMETZLMT-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-bromo-4-methylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone with MolForge

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Related Compounds

(3-bromo-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 81471610
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trimethylphenyl)methanone
CID 43297079
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(4-methylthiophen-3-yl)methanone
CID 79803151
(4-bromo-3-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 63491672
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylfuran-2-yl)methanone
CID 43463835
(2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 65454365
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(1,3-thiazol-4-yl)methanone
CID 114992919
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
(5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)methanone
CID 79982080
(4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297054
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101051
(3-ethylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 79985945

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone (CID 79981125) is (5-bromo-4-methylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone is Cc1cc(C(=O)c2ccc3c(c2)CC(C)O3)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
The InChIKey is LRTSBKHMETZLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2S/c1-8-5-13(19-15(8)16)14(17)10-3-4-12-11(7-10)6-9(2)18-12/h3-5,7,9H,6H2,1-2H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
(5-bromo-4-methylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone has a molecular weight of 337.24 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 79981125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).