6-(2-phenylethylsulfanyl)-2,3-dihydro-1-benzofuran-5-ol

C16H16O2S — CID 14484916

IUPAC6-(2-phenylethylsulfanyl)-2,3-dihydro-1-benzofuran-5-ol
SMILESOc1cc2c(cc1SCCc1ccccc1)OCC2
InChIInChI=1S/C16H16O2S/c17-14-10-13-6-8-18-15(13)11-16(14)19-9-7-12-4-2-1-3-5-12/h1-5,10-11,17H,6-9H2
InChIKeyZTBUZZQVYRWZGR-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.66
Rot. Bonds4

About 6-(2-phenylethylsulfanyl)-2,3-dihydro-1-benzofuran-5-ol

6-(2-phenylethylsulfanyl)-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 14484916) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 6-(2-phenylethylsulfanyl)-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name6-(2-phenylethylsulfanyl)-2,3-dihydro-1-benzofuran-5-ol
PubChem CID14484916
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name6-(2-phenylethylsulfanyl)-2,3-dihydro-1-benzofuran-5-ol
SMILESOc1cc2c(cc1SCCc1ccccc1)OCC2
InChIInChI=1S/C16H16O2S/c17-14-10-13-6-8-18-15(13)11-16(14)19-9-7-12-4-2-1-3-5-12/h1-5,10-11,17H,6-9H2
InChIKeyZTBUZZQVYRWZGR-UHFFFAOYSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethylsulfanyl)-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 6-(2-phenylethylsulfanyl)-2,3-dihydro-1-benzofuran-5-ol (CID 14484916) is 6-(2-phenylethylsulfanyl)-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 6-(2-phenylethylsulfanyl)-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 6-(2-phenylethylsulfanyl)-2,3-dihydro-1-benzofuran-5-ol is Oc1cc2c(cc1SCCc1ccccc1)OCC2.
What is the InChIKey of 6-(2-phenylethylsulfanyl)-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is ZTBUZZQVYRWZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S/c17-14-10-13-6-8-18-15(13)11-16(14)19-9-7-12-4-2-1-3-5-12/h1-5,10-11,17H,6-9H2.
What are the key properties of 6-(2-phenylethylsulfanyl)-2,3-dihydro-1-benzofuran-5-ol?
6-(2-phenylethylsulfanyl)-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 272.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethylsulfanyl)-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 14484916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).