phenoxathiin-2-ol

C12H8O2S — CID 10846384

IUPACphenoxathiin-2-ol
SMILESOc1ccc2c(c1)Sc1ccccc1O2
InChIInChI=1S/C12H8O2S/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10/h1-7,13H
InChIKeyPDDUDFHWSKEIDL-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.65
Rot. Bonds

About phenoxathiin-2-ol

phenoxathiin-2-ol (PubChem CID 10846384) has the molecular formula C12H8O2S and a molecular weight of 216.26 g/mol. Its IUPAC name is phenoxathiin-2-ol.

Molecular Properties

Compound Namephenoxathiin-2-ol
PubChem CID10846384
Molecular FormulaC12H8O2S
Molecular Weight216.26 g/mol
Exact Mass216.02
IUPAC Namephenoxathiin-2-ol
SMILESOc1ccc2c(c1)Sc1ccccc1O2
InChIInChI=1S/C12H8O2S/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10/h1-7,13H
InChIKeyPDDUDFHWSKEIDL-UHFFFAOYSA-N
XLogP3.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Phenoxathiin
CID 9217
Phenoxathiin, 10,10-dioxide
CID 70369
2-Methoxy-phenoxathiine 10,10-dioxide
CID 10587547
Acetic acid 10,10-dioxo-10H-10lambda*6*-phenoxathiin-2-yl ester
CID 10708607
2-Ethoxy-phenoxathiine 10,10-dioxide
CID 10850054
4-Phenoxathiinylboronic Acid
CID 2734376
2-(4-Hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol
CID 11161281
2-Phenyl-1,4-benzoxathiin-6-ol
CID 90677225
2-Fluorophenoxathiin
CID 137218
Phenoxathiin, 2,8-difluoro-
CID 186095
3-Fluorophenoxathiine
CID 18687752
6-hydroxy-1,4-benzoxathiin-2(3H)-one
CID 839261

Frequently Asked Questions

What is the IUPAC name of phenoxathiin-2-ol?
The IUPAC name of phenoxathiin-2-ol (CID 10846384) is phenoxathiin-2-ol.
What is the SMILES notation for phenoxathiin-2-ol?
The canonical SMILES for phenoxathiin-2-ol is Oc1ccc2c(c1)Sc1ccccc1O2.
What is the InChIKey of phenoxathiin-2-ol?
The InChIKey is PDDUDFHWSKEIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2S/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10/h1-7,13H.
What are the key properties of phenoxathiin-2-ol?
phenoxathiin-2-ol has a molecular weight of 216.26 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxathiin-2-ol is sourced from PubChem (CID 10846384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).