1-(1-benzofuran-2-yl)-2-[(2-methylphenyl)methylsulfanyl]ethanone

C18H16O2S — CID 60623861

IUPAC1-(1-benzofuran-2-yl)-2-[(2-methylphenyl)methylsulfanyl]ethanone
SMILESCc1ccccc1CSCC(=O)c1cc2ccccc2o1
InChIInChI=1S/C18H16O2S/c1-13-6-2-3-8-15(13)11-21-12-16(19)18-10-14-7-4-5-9-17(14)20-18/h2-10H,11-12H2,1H3
InChIKeyNCBXMQXLYRSPBZ-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.86
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-2-[(2-methylphenyl)methylsulfanyl]ethanone

1-(1-benzofuran-2-yl)-2-[(2-methylphenyl)methylsulfanyl]ethanone (PubChem CID 60623861) has the molecular formula C18H16O2S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-[(2-methylphenyl)methylsulfanyl]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-[(2-methylphenyl)methylsulfanyl]ethanone
PubChem CID60623861
Molecular FormulaC18H16O2S
Molecular Weight296.39 g/mol
Exact Mass296.09
IUPAC Name1-(1-benzofuran-2-yl)-2-[(2-methylphenyl)methylsulfanyl]ethanone
SMILESCc1ccccc1CSCC(=O)c1cc2ccccc2o1
InChIInChI=1S/C18H16O2S/c1-13-6-2-3-8-15(13)11-21-12-16(19)18-10-14-7-4-5-9-17(14)20-18/h2-10H,11-12H2,1H3
InChIKeyNCBXMQXLYRSPBZ-UHFFFAOYSA-N
XLogP4.86
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone
CID 62771239
1-(1-benzofuran-2-yl)-2-(3-methylphenyl)sulfanylethanone
CID 61243446
1-(1-benzofuran-2-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanone
CID 106495123
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
1-(1-benzofuran-2-yl)-3,3-dimethylbutan-1-one
CID 114725277
1-(1-benzofuran-2-yl)pentane-1,3-dione
CID 28896262
1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane
CID 171632781
1-(1-benzofuran-2-yl)-2-(2,3-dichlorophenyl)ethanone
CID 107307868
(2-methylphenyl)methyl 5-amino-1-benzofuran-2-carboxylate
CID 61321170
1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)sulfanylethanone
CID 62646826
5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 63580707
1-(1-benzofuran-2-yl)ethanone
CID 15435

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-[(2-methylphenyl)methylsulfanyl]ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-[(2-methylphenyl)methylsulfanyl]ethanone (CID 60623861) is 1-(1-benzofuran-2-yl)-2-[(2-methylphenyl)methylsulfanyl]ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-[(2-methylphenyl)methylsulfanyl]ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-[(2-methylphenyl)methylsulfanyl]ethanone is Cc1ccccc1CSCC(=O)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-[(2-methylphenyl)methylsulfanyl]ethanone?
The InChIKey is NCBXMQXLYRSPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2S/c1-13-6-2-3-8-15(13)11-21-12-16(19)18-10-14-7-4-5-9-17(14)20-18/h2-10H,11-12H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-[(2-methylphenyl)methylsulfanyl]ethanone?
1-(1-benzofuran-2-yl)-2-[(2-methylphenyl)methylsulfanyl]ethanone has a molecular weight of 296.39 g/mol, XLogP of 4.86, 5 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-[(2-methylphenyl)methylsulfanyl]ethanone is sourced from PubChem (CID 60623861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).