6-benzylsulfanyl-2,3-dihydro-1-benzofuran-5-ol

C15H14O2S — CID 14484915

IUPAC6-benzylsulfanyl-2,3-dihydro-1-benzofuran-5-ol
SMILESOc1cc2c(cc1SCc1ccccc1)OCC2
InChIInChI=1S/C15H14O2S/c16-13-8-12-6-7-17-14(12)9-15(13)18-10-11-4-2-1-3-5-11/h1-5,8-9,16H,6-7,10H2
InChIKeyAMEKKDNMOQUFTD-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.62
Rot. Bonds3

About 6-benzylsulfanyl-2,3-dihydro-1-benzofuran-5-ol

6-benzylsulfanyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 14484915) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 6-benzylsulfanyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name6-benzylsulfanyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID14484915
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name6-benzylsulfanyl-2,3-dihydro-1-benzofuran-5-ol
SMILESOc1cc2c(cc1SCc1ccccc1)OCC2
InChIInChI=1S/C15H14O2S/c16-13-8-12-6-7-17-14(12)9-15(13)18-10-11-4-2-1-3-5-11/h1-5,8-9,16H,6-7,10H2
InChIKeyAMEKKDNMOQUFTD-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfanyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 6-benzylsulfanyl-2,3-dihydro-1-benzofuran-5-ol (CID 14484915) is 6-benzylsulfanyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 6-benzylsulfanyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 6-benzylsulfanyl-2,3-dihydro-1-benzofuran-5-ol is Oc1cc2c(cc1SCc1ccccc1)OCC2.
What is the InChIKey of 6-benzylsulfanyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is AMEKKDNMOQUFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c16-13-8-12-6-7-17-14(12)9-15(13)18-10-11-4-2-1-3-5-11/h1-5,8-9,16H,6-7,10H2.
What are the key properties of 6-benzylsulfanyl-2,3-dihydro-1-benzofuran-5-ol?
6-benzylsulfanyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 258.34 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfanyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 14484915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).