3-(2,3-dihydro-1-benzofuran-6-yl)thietan-3-ol

C11H12O2S — CID 131076574

IUPAC3-(2,3-dihydro-1-benzofuran-6-yl)thietan-3-ol
SMILESOC1(c2ccc3c(c2)OCC3)CSC1
InChIInChI=1S/C11H12O2S/c12-11(6-14-7-11)9-2-1-8-3-4-13-10(8)5-9/h1-2,5,12H,3-4,6-7H2
InChIKeyUQMMKJCYUXNFOE-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.56
Rot. Bonds1

About 3-(2,3-dihydro-1-benzofuran-6-yl)thietan-3-ol

3-(2,3-dihydro-1-benzofuran-6-yl)thietan-3-ol (PubChem CID 131076574) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-6-yl)thietan-3-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-6-yl)thietan-3-ol
PubChem CID131076574
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name3-(2,3-dihydro-1-benzofuran-6-yl)thietan-3-ol
SMILESOC1(c2ccc3c(c2)OCC3)CSC1
InChIInChI=1S/C11H12O2S/c12-11(6-14-7-11)9-2-1-8-3-4-13-10(8)5-9/h1-2,5,12H,3-4,6-7H2
InChIKeyUQMMKJCYUXNFOE-UHFFFAOYSA-N
XLogP1.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylcyclobutan-1-ol
CID 103564717
1-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylcyclohexan-1-ol
CID 104542080
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethoxycyclobutan-1-ol
CID 106823465
7-(2,3-dihydro-1-benzofuran-5-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171960062
1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dimethylcyclohexan-1-ol
CID 113425025
6-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 130750027
acetic acid;6-methyl-2,3-dihydro-1-benzofuran
CID 156753873
6-nitroso-2,3-dihydro-1-benzofuran
CID 143738609
2,3-dihydro-1-benzofuran-6-yl(pentafluoro)-λ6-sulfane
CID 164867478
6-ethyl-2,3-dihydro-1-benzofuran
CID 59981216
4-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxan-4-ol
CID 104542076
1-(2,3-dihydro-1-benzofuran-5-yl)-3-propan-2-ylcyclohexan-1-ol
CID 107449797

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-6-yl)thietan-3-ol?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-6-yl)thietan-3-ol (CID 131076574) is 3-(2,3-dihydro-1-benzofuran-6-yl)thietan-3-ol.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-6-yl)thietan-3-ol?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-6-yl)thietan-3-ol is OC1(c2ccc3c(c2)OCC3)CSC1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-6-yl)thietan-3-ol?
The InChIKey is UQMMKJCYUXNFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c12-11(6-14-7-11)9-2-1-8-3-4-13-10(8)5-9/h1-2,5,12H,3-4,6-7H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-6-yl)thietan-3-ol?
3-(2,3-dihydro-1-benzofuran-6-yl)thietan-3-ol has a molecular weight of 208.28 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-6-yl)thietan-3-ol is sourced from PubChem (CID 131076574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).