1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)sulfanylethanone

C17H16O2S — CID 114744205

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)sulfanylethanone
SMILESCc1cccc(SCC(=O)c2cccc3c2OCC3)c1
InChIInChI=1S/C17H16O2S/c1-12-4-2-6-14(10-12)20-11-16(18)15-7-3-5-13-8-9-19-17(13)15/h2-7,10H,8-9,11H2,1H3
InChIKeyRGDNGSMOUMFIGD-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.90
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)sulfanylethanone

1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)sulfanylethanone (PubChem CID 114744205) has the molecular formula C17H16O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)sulfanylethanone
PubChem CID114744205
Molecular FormulaC17H16O2S
Molecular Weight284.38 g/mol
Exact Mass284.09
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)sulfanylethanone
SMILESCc1cccc(SCC(=O)c2cccc3c2OCC3)c1
InChIInChI=1S/C17H16O2S/c1-12-4-2-6-14(10-12)20-11-16(18)15-7-3-5-13-8-9-19-17(13)15/h2-7,10H,8-9,11H2,1H3
InChIKeyRGDNGSMOUMFIGD-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)sulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)sulfanylethanone?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)sulfanylethanone (CID 114744205) is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)sulfanylethanone is Cc1cccc(SCC(=O)c2cccc3c2OCC3)c1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)sulfanylethanone?
The InChIKey is RGDNGSMOUMFIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2S/c1-12-4-2-6-14(10-12)20-11-16(18)15-7-3-5-13-8-9-19-17(13)15/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)sulfanylethanone?
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)sulfanylethanone has a molecular weight of 284.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)sulfanylethanone is sourced from PubChem (CID 114744205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).