1-(1-benzofuran-2-yl)-2-(3-methylphenyl)sulfanylethanone

C17H14O2S — CID 61243446

IUPAC1-(1-benzofuran-2-yl)-2-(3-methylphenyl)sulfanylethanone
SMILESCc1cccc(SCC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C17H14O2S/c1-12-5-4-7-14(9-12)20-11-15(18)17-10-13-6-2-3-8-16(13)19-17/h2-10H,11H2,1H3
InChIKeyVCYXNOMJKNZGMJ-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.72
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(3-methylphenyl)sulfanylethanone

1-(1-benzofuran-2-yl)-2-(3-methylphenyl)sulfanylethanone (PubChem CID 61243446) has the molecular formula C17H14O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(3-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(3-methylphenyl)sulfanylethanone
PubChem CID61243446
Molecular FormulaC17H14O2S
Molecular Weight282.36 g/mol
Exact Mass282.07
IUPAC Name1-(1-benzofuran-2-yl)-2-(3-methylphenyl)sulfanylethanone
SMILESCc1cccc(SCC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C17H14O2S/c1-12-5-4-7-14(9-12)20-11-15(18)17-10-13-6-2-3-8-16(13)19-17/h2-10H,11H2,1H3
InChIKeyVCYXNOMJKNZGMJ-UHFFFAOYSA-N
XLogP4.72
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)sulfanylethanone
CID 62646826
1-(1-benzofuran-2-yl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 7682773
1-(1-benzofuran-2-yl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 3902834
1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone
CID 43413131
2-(4-bromophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 114725515
1-(1-benzofuran-2-yl)-2-[(2-methylphenyl)methylsulfanyl]ethanone
CID 60623861
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-(1-benzofuran-2-yl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 8722989
1-(1-benzofuran-2-yl)ethanone;molecular hydrogen;toluene;dihydrate
CID 142129811
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
1-(1-benzofuran-2-yl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 63737144
2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-benzofuran-2-yl)ethanone
CID 2335628

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(3-methylphenyl)sulfanylethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(3-methylphenyl)sulfanylethanone (CID 61243446) is 1-(1-benzofuran-2-yl)-2-(3-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(3-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(3-methylphenyl)sulfanylethanone is Cc1cccc(SCC(=O)c2cc3ccccc3o2)c1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(3-methylphenyl)sulfanylethanone?
The InChIKey is VCYXNOMJKNZGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2S/c1-12-5-4-7-14(9-12)20-11-15(18)17-10-13-6-2-3-8-16(13)19-17/h2-10H,11H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(3-methylphenyl)sulfanylethanone?
1-(1-benzofuran-2-yl)-2-(3-methylphenyl)sulfanylethanone has a molecular weight of 282.36 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(3-methylphenyl)sulfanylethanone is sourced from PubChem (CID 61243446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).