(3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone

C15H12O2S — CID 28880620

IUPAC(3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2oc3ccccc3c2C)s1
InChIInChI=1S/C15H12O2S/c1-9-7-8-13(18-9)14(16)15-10(2)11-5-3-4-6-12(11)17-15/h3-8H,1-2H3
InChIKeyOPOYUUVIMTYYNQ-UHFFFAOYSA-N
MW256.33 g/mol
LogP4.34
Rot. Bonds2

About (3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone

(3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone (PubChem CID 28880620) has the molecular formula C15H12O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is (3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone
PubChem CID28880620
Molecular FormulaC15H12O2S
Molecular Weight256.33 g/mol
Exact Mass256.06
IUPAC Name(3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2oc3ccccc3c2C)s1
InChIInChI=1S/C15H12O2S/c1-9-7-8-13(18-9)14(16)15-10(2)11-5-3-4-6-12(11)17-15/h3-8H,1-2H3
InChIKeyOPOYUUVIMTYYNQ-UHFFFAOYSA-N
XLogP4.34
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone
CID 112723138
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
ethyl 3-[(5-methylthiophene-2-carbonyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560148
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 8919323
(2-methoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880611
(3-methyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanone
CID 28880618
3-methyl-1-benzofuran-2-carbothioamide
CID 83591316
(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226711
1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 24686604
(4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanone
CID 79596715
3-(3-methyl-1-benzofuran-2-carbonyl)oxypropyl 3-methyl-1-benzofuran-2-carboxylate
CID 7571204
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone (CID 28880620) is (3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)c2oc3ccccc3c2C)s1.
What is the InChIKey of (3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is OPOYUUVIMTYYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2S/c1-9-7-8-13(18-9)14(16)15-10(2)11-5-3-4-6-12(11)17-15/h3-8H,1-2H3.
What are the key properties of (3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone?
(3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 256.33 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 28880620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).