1-phenoxathiin-2-ylpropan-1-ol

C15H14O2S — CID 515180

IUPAC1-phenoxathiin-2-ylpropan-1-ol
SMILESCCC(O)c1ccc2c(c1)Sc1ccccc1O2
InChIInChI=1S/C15H14O2S/c1-2-11(16)10-7-8-13-15(9-10)18-14-6-4-3-5-12(14)17-13/h3-9,11,16H,2H2,1H3
InChIKeyYPCXHWUZWSCTRF-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.39
Rot. Bonds2

About 1-phenoxathiin-2-ylpropan-1-ol

1-phenoxathiin-2-ylpropan-1-ol (PubChem CID 515180) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-phenoxathiin-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-phenoxathiin-2-ylpropan-1-ol
PubChem CID515180
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name1-phenoxathiin-2-ylpropan-1-ol
SMILESCCC(O)c1ccc2c(c1)Sc1ccccc1O2
InChIInChI=1S/C15H14O2S/c1-2-11(16)10-7-8-13-15(9-10)18-14-6-4-3-5-12(14)17-13/h3-9,11,16H,2H2,1H3
InChIKeyYPCXHWUZWSCTRF-UHFFFAOYSA-N
XLogP4.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenoxathiinethanol, 10,10-dioxide
CID 9860394
1-(1-Hydroxyethyl)phenoxathiin 10,10-dioxide
CID 9993586
2,8-Dimethylphenoxathiin
CID 186060
2-Ethyl-phenoxathiine 10,10-dioxide
CID 10848921
1,2-Ethanediol, 1-(10,10-dioxido-1-phenoxathiinyl)-
CID 178277
2-(4-Methoxyphenyl)-2,3-dihydro-1,4-benzoxathiine-5,7-diol
CID 10517608
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-2,3-dihydro-1,4-benzoxathiin-2-yl)benzene-1,2-diol
CID 90677223

Frequently Asked Questions

What is the IUPAC name of 1-phenoxathiin-2-ylpropan-1-ol?
The IUPAC name of 1-phenoxathiin-2-ylpropan-1-ol (CID 515180) is 1-phenoxathiin-2-ylpropan-1-ol.
What is the SMILES notation for 1-phenoxathiin-2-ylpropan-1-ol?
The canonical SMILES for 1-phenoxathiin-2-ylpropan-1-ol is CCC(O)c1ccc2c(c1)Sc1ccccc1O2.
What is the InChIKey of 1-phenoxathiin-2-ylpropan-1-ol?
The InChIKey is YPCXHWUZWSCTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-2-11(16)10-7-8-13-15(9-10)18-14-6-4-3-5-12(14)17-13/h3-9,11,16H,2H2,1H3.
What are the key properties of 1-phenoxathiin-2-ylpropan-1-ol?
1-phenoxathiin-2-ylpropan-1-ol has a molecular weight of 258.34 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxathiin-2-ylpropan-1-ol is sourced from PubChem (CID 515180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).