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

C13H12O2S2 — CID 106600947

IUPAC2,3-dihydro-1,4-benzoxathiin-2-yl(thiophen-2-yl)methanol
SMILESOC(c1cccs1)C1CSc2ccccc2O1
InChIInChI=1S/C13H12O2S2/c14-13(12-6-3-7-16-12)10-8-17-11-5-2-1-4-9(11)15-10/h1-7,10,13-14H,8H2
InChIKeyXDGZCBVSNMBUFZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.33
Rot. Bonds2

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

2,3-dihydro-1,4-benzoxathiin-2-yl(thiophen-2-yl)methanol (PubChem CID 106600947) has the molecular formula C13H12O2S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzoxathiin-2-yl(thiophen-2-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzoxathiin-2-yl(thiophen-2-yl)methanol
PubChem CID106600947
Molecular FormulaC13H12O2S2
Molecular Weight264.37 g/mol
Exact Mass264.03
IUPAC Name2,3-dihydro-1,4-benzoxathiin-2-yl(thiophen-2-yl)methanol
SMILESOC(c1cccs1)C1CSc2ccccc2O1
InChIInChI=1S/C13H12O2S2/c14-13(12-6-3-7-16-12)10-8-17-11-5-2-1-4-9(11)15-10/h1-7,10,13-14H,8H2
InChIKeyXDGZCBVSNMBUFZ-UHFFFAOYSA-N
XLogP3.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzothiophen-7-yl(2,3-dihydro-1,4-benzoxathiin-2-yl)methanol
CID 106600969
(3-bromofuran-2-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanol
CID 106601107
2,3-dihydro-1,4-benzoxathiin-2-yl-(4-ethoxyphenyl)methanol
CID 106600903
2,3-dihydro-1,4-benzoxathiin-2-yl-(3-methoxyphenyl)methanol
CID 106600926
2,3-dihydro-1,4-benzoxathiin-2-yl-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106881223
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-ethoxyethanol
CID 106601046
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-5-methylhexan-1-ol
CID 106600918
2-(2,3-difluorophenyl)-1-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethanol
CID 106601112
2,3-dihydro-1,4-benzoxathiin-2-yl-(5-ethoxy-3-pyridinyl)methanol
CID 106601125
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylbutan-1-amine
CID 106601197
(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanol
CID 106601012
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-methylbut-2-enyl]hydrazine
CID 106602260

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzoxathiin-2-yl(thiophen-2-yl)methanol?
The IUPAC name of 2,3-dihydro-1,4-benzoxathiin-2-yl(thiophen-2-yl)methanol (CID 106600947) is 2,3-dihydro-1,4-benzoxathiin-2-yl(thiophen-2-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1,4-benzoxathiin-2-yl(thiophen-2-yl)methanol?
The canonical SMILES for 2,3-dihydro-1,4-benzoxathiin-2-yl(thiophen-2-yl)methanol is OC(c1cccs1)C1CSc2ccccc2O1.
What is the InChIKey of 2,3-dihydro-1,4-benzoxathiin-2-yl(thiophen-2-yl)methanol?
The InChIKey is XDGZCBVSNMBUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S2/c14-13(12-6-3-7-16-12)10-8-17-11-5-2-1-4-9(11)15-10/h1-7,10,13-14H,8H2.
What are the key properties of 2,3-dihydro-1,4-benzoxathiin-2-yl(thiophen-2-yl)methanol?
2,3-dihydro-1,4-benzoxathiin-2-yl(thiophen-2-yl)methanol has a molecular weight of 264.37 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzoxathiin-2-yl(thiophen-2-yl)methanol is sourced from PubChem (CID 106600947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).