2-phenoxathiin-2-ylpropan-2-ol

C15H14O2S — CID 515181

IUPAC2-phenoxathiin-2-ylpropan-2-ol
SMILESCC(C)(O)c1ccc2c(c1)Sc1ccccc1O2
InChIInChI=1S/C15H14O2S/c1-15(2,16)10-7-8-12-14(9-10)18-13-6-4-3-5-11(13)17-12/h3-9,16H,1-2H3
InChIKeyAFUKOWWYNSANRE-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.17
Rot. Bonds1

About 2-phenoxathiin-2-ylpropan-2-ol

2-phenoxathiin-2-ylpropan-2-ol (PubChem CID 515181) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-phenoxathiin-2-ylpropan-2-ol.

Molecular Properties

Compound Name2-phenoxathiin-2-ylpropan-2-ol
PubChem CID515181
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name2-phenoxathiin-2-ylpropan-2-ol
SMILESCC(C)(O)c1ccc2c(c1)Sc1ccccc1O2
InChIInChI=1S/C15H14O2S/c1-15(2,16)10-7-8-12-14(9-10)18-13-6-4-3-5-11(13)17-12/h3-9,16H,1-2H3
InChIKeyAFUKOWWYNSANRE-UHFFFAOYSA-N
XLogP4.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-phenoxathiin-2-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,8-Dimethylphenoxathiin
CID 186060
3-Ethyl-phenoxathiine
CID 10633121
2-Ethyl-phenoxathiine 10,10-dioxide
CID 10848921
1-(10,10-Dioxophenoxathiin-2-yl)ethanol
CID 515171
2-(4-Hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol
CID 11161281
2-(4-Hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-7-ol
CID 11299942
1,4-Benzoxathiin-7-ol, 2,3-dihydro-2-(4-methoxyphenyl)-
CID 11460016
4-(7-Methoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)phenol
CID 24863523
4-(6-Methoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)phenol
CID 90677222
4-(6-Methoxy-1,4-benzoxathiin-2-yl)phenol
CID 90677226
2-Methylphenoxathiin
CID 138662
Ethyl phenoxathiin
CID 10799369

Frequently Asked Questions

What is the IUPAC name of 2-phenoxathiin-2-ylpropan-2-ol?
The IUPAC name of 2-phenoxathiin-2-ylpropan-2-ol (CID 515181) is 2-phenoxathiin-2-ylpropan-2-ol.
What is the SMILES notation for 2-phenoxathiin-2-ylpropan-2-ol?
The canonical SMILES for 2-phenoxathiin-2-ylpropan-2-ol is CC(C)(O)c1ccc2c(c1)Sc1ccccc1O2.
What is the InChIKey of 2-phenoxathiin-2-ylpropan-2-ol?
The InChIKey is AFUKOWWYNSANRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-15(2,16)10-7-8-12-14(9-10)18-13-6-4-3-5-11(13)17-12/h3-9,16H,1-2H3.
What are the key properties of 2-phenoxathiin-2-ylpropan-2-ol?
2-phenoxathiin-2-ylpropan-2-ol has a molecular weight of 258.34 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxathiin-2-ylpropan-2-ol is sourced from PubChem (CID 515181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).