1-(1-benzofuran-2-yl)-2-methylsulfanyl-2-phenylethanone

C17H14O2S — CID 11231375

IUPAC1-(1-benzofuran-2-yl)-2-methylsulfanyl-2-phenylethanone
SMILESCSC(C(=O)c1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C17H14O2S/c1-20-17(12-7-3-2-4-8-12)16(18)15-11-13-9-5-6-10-14(13)19-15/h2-11,17H,1H3
InChIKeyKIIWBIPIOCRAIM-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.72
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-methylsulfanyl-2-phenylethanone

1-(1-benzofuran-2-yl)-2-methylsulfanyl-2-phenylethanone (PubChem CID 11231375) has the molecular formula C17H14O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-methylsulfanyl-2-phenylethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-methylsulfanyl-2-phenylethanone
PubChem CID11231375
Molecular FormulaC17H14O2S
Molecular Weight282.36 g/mol
Exact Mass282.07
IUPAC Name1-(1-benzofuran-2-yl)-2-methylsulfanyl-2-phenylethanone
SMILESCSC(C(=O)c1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C17H14O2S/c1-20-17(12-7-3-2-4-8-12)16(18)15-11-13-9-5-6-10-14(13)19-15/h2-11,17H,1H3
InChIKeyKIIWBIPIOCRAIM-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

Dibenzofuran
CID 568
2-Benzofurancarboxaldehyde
CID 61341
2-Acetylbenzofuran
CID 15435
Ethanone, 1-(3-methyl-2-benzofuranyl)-
CID 2507689
2-Benzoylbenzofuran
CID 95808
2-Phenyl-benzofuran
CID 3517936
Bis(benzo[b]furan-2-yl)methanone
CID 9179241
Benzofuran-2-yl(p-tolyl)methanone
CID 935764
2-Acetyldibenzofuran
CID 293028
4-(3-Phenyl-1-benzofuran-2-yl)butan-2-one
CID 873105
3-(3-Methylbenzofuran-2-yl)-3-oxopropanenitrile
CID 21445141
1-Benzofuran-2-yl(2-thienyl)methanone
CID 684173

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-methylsulfanyl-2-phenylethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-methylsulfanyl-2-phenylethanone (CID 11231375) is 1-(1-benzofuran-2-yl)-2-methylsulfanyl-2-phenylethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-methylsulfanyl-2-phenylethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-methylsulfanyl-2-phenylethanone is CSC(C(=O)c1cc2ccccc2o1)c1ccccc1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-methylsulfanyl-2-phenylethanone?
The InChIKey is KIIWBIPIOCRAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2S/c1-20-17(12-7-3-2-4-8-12)16(18)15-11-13-9-5-6-10-14(13)19-15/h2-11,17H,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-methylsulfanyl-2-phenylethanone?
1-(1-benzofuran-2-yl)-2-methylsulfanyl-2-phenylethanone 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-methylsulfanyl-2-phenylethanone is sourced from PubChem (CID 11231375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).