2-phenoxathiin-3-yloxypropan-1-ol

C15H14O3S — CID 18687736

IUPAC2-phenoxathiin-3-yloxypropan-1-ol
SMILESCC(CO)Oc1ccc2c(c1)Oc1ccccc1S2
InChIInChI=1S/C15H14O3S/c1-10(9-16)17-11-6-7-15-13(8-11)18-12-4-2-3-5-14(12)19-15/h2-8,10,16H,9H2,1H3
InChIKeyHZBZACOTDBGEEX-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.70
Rot. Bonds3

About 2-phenoxathiin-3-yloxypropan-1-ol

2-phenoxathiin-3-yloxypropan-1-ol (PubChem CID 18687736) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-phenoxathiin-3-yloxypropan-1-ol.

Molecular Properties

Compound Name2-phenoxathiin-3-yloxypropan-1-ol
PubChem CID18687736
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name2-phenoxathiin-3-yloxypropan-1-ol
SMILESCC(CO)Oc1ccc2c(c1)Oc1ccccc1S2
InChIInChI=1S/C15H14O3S/c1-10(9-16)17-11-6-7-15-13(8-11)18-12-4-2-3-5-14(12)19-15/h2-8,10,16H,9H2,1H3
InChIKeyHZBZACOTDBGEEX-UHFFFAOYSA-N
XLogP3.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxathiin-3-yloxypropan-1-ol?
The IUPAC name of 2-phenoxathiin-3-yloxypropan-1-ol (CID 18687736) is 2-phenoxathiin-3-yloxypropan-1-ol.
What is the SMILES notation for 2-phenoxathiin-3-yloxypropan-1-ol?
The canonical SMILES for 2-phenoxathiin-3-yloxypropan-1-ol is CC(CO)Oc1ccc2c(c1)Oc1ccccc1S2.
What is the InChIKey of 2-phenoxathiin-3-yloxypropan-1-ol?
The InChIKey is HZBZACOTDBGEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-10(9-16)17-11-6-7-15-13(8-11)18-12-4-2-3-5-14(12)19-15/h2-8,10,16H,9H2,1H3.
What are the key properties of 2-phenoxathiin-3-yloxypropan-1-ol?
2-phenoxathiin-3-yloxypropan-1-ol has a molecular weight of 274.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxathiin-3-yloxypropan-1-ol is sourced from PubChem (CID 18687736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).