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

C14H12O2S — CID 14484914

IUPAC6-phenylsulfanyl-2,3-dihydro-1-benzofuran-5-ol
SMILESOc1cc2c(cc1Sc1ccccc1)OCC2
InChIInChI=1S/C14H12O2S/c15-12-8-10-6-7-16-13(10)9-14(12)17-11-4-2-1-3-5-11/h1-5,8-9,15H,6-7H2
InChIKeyMWFNSWRXQDPKQQ-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.48
Rot. Bonds2

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

6-phenylsulfanyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 14484914) has the molecular formula C14H12O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 6-phenylsulfanyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name6-phenylsulfanyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID14484914
Molecular FormulaC14H12O2S
Molecular Weight244.32 g/mol
Exact Mass244.06
IUPAC Name6-phenylsulfanyl-2,3-dihydro-1-benzofuran-5-ol
SMILESOc1cc2c(cc1Sc1ccccc1)OCC2
InChIInChI=1S/C14H12O2S/c15-12-8-10-6-7-16-13(10)9-14(12)17-11-4-2-1-3-5-11/h1-5,8-9,15H,6-7H2
InChIKeyMWFNSWRXQDPKQQ-UHFFFAOYSA-N
XLogP3.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenylsulfanyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 6-phenylsulfanyl-2,3-dihydro-1-benzofuran-5-ol (CID 14484914) is 6-phenylsulfanyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 6-phenylsulfanyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 6-phenylsulfanyl-2,3-dihydro-1-benzofuran-5-ol is Oc1cc2c(cc1Sc1ccccc1)OCC2.
What is the InChIKey of 6-phenylsulfanyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is MWFNSWRXQDPKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c15-12-8-10-6-7-16-13(10)9-14(12)17-11-4-2-1-3-5-11/h1-5,8-9,15H,6-7H2.
What are the key properties of 6-phenylsulfanyl-2,3-dihydro-1-benzofuran-5-ol?
6-phenylsulfanyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 244.32 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylsulfanyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 14484914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).