1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-thiophen-3-ylethanol

C14H14O2S2 — CID 106600901

IUPAC1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)C1CSc2ccccc2O1
InChIInChI=1S/C14H14O2S2/c15-11(7-10-5-6-17-8-10)13-9-18-14-4-2-1-3-12(14)16-13/h1-6,8,11,13,15H,7,9H2
InChIKeyDXBXQBCYQXXGGN-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.20
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-thiophen-3-ylethanol

1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-thiophen-3-ylethanol (PubChem CID 106600901) has the molecular formula C14H14O2S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-thiophen-3-ylethanol
PubChem CID106600901
Molecular FormulaC14H14O2S2
Molecular Weight278.40 g/mol
Exact Mass278.04
IUPAC Name1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)C1CSc2ccccc2O1
InChIInChI=1S/C14H14O2S2/c15-11(7-10-5-6-17-8-10)13-9-18-14-4-2-1-3-12(14)16-13/h1-6,8,11,13,15H,7,9H2
InChIKeyDXBXQBCYQXXGGN-UHFFFAOYSA-N
XLogP3.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-difluorophenyl)-1-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethanol
CID 106601112
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-ethoxyethanol
CID 106601046
1-(oxolan-2-yl)-2-thiophen-3-ylethanol
CID 65330907
1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanol
CID 65350596
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-(4-ethylphenyl)ethanamine
CID 106601263
(3-bromofuran-2-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanol
CID 106601107
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-N-methyl-3-phenylpropan-1-amine
CID 106601463
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 106600974
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylbutan-1-amine
CID 106601197
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-N,4-dimethylpent-4-en-1-amine
CID 106601538
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 106602268
2,3-dihydro-1,4-benzoxathiin-2-yl-(4-ethoxyphenyl)methanol
CID 106600903

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-thiophen-3-ylethanol (CID 106600901) is 1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-thiophen-3-ylethanol is OC(Cc1ccsc1)C1CSc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-thiophen-3-ylethanol?
The InChIKey is DXBXQBCYQXXGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S2/c15-11(7-10-5-6-17-8-10)13-9-18-14-4-2-1-3-12(14)16-13/h1-6,8,11,13,15H,7,9H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-thiophen-3-ylethanol?
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-thiophen-3-ylethanol has a molecular weight of 278.40 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 106600901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).