3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol

C12H18O4S — CID 10967176

IUPAC3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol
SMILESOCC(O)CSCC(O)COc1ccccc1
InChIInChI=1S/C12H18O4S/c13-6-10(14)8-17-9-11(15)7-16-12-4-2-1-3-5-12/h1-5,10-11,13-15H,6-9H2
InChIKeyOHAUYRFFEHQLRX-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.51
Rot. Bonds8

About 3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol

3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol (PubChem CID 10967176) has the molecular formula C12H18O4S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol
PubChem CID10967176
Molecular FormulaC12H18O4S
Molecular Weight258.34 g/mol
Exact Mass258.09
IUPAC Name3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol
SMILESOCC(O)CSCC(O)COc1ccccc1
InChIInChI=1S/C12H18O4S/c13-6-10(14)8-17-9-11(15)7-16-12-4-2-1-3-5-12/h1-5,10-11,13-15H,6-9H2
InChIKeyOHAUYRFFEHQLRX-UHFFFAOYSA-N
XLogP0.51
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[3-[3-(2,3-dihydroxypropylsulfanyl)-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]sulfanylpropane-1,2-diol
CID 168796555
3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
actinium;3-phenoxypropane-1,2-diol
CID 22981458
ethane;2-methylpropane;tris(3-phenoxypropane-1,2-diol);propane
CID 162110653
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
1-ethylsulfanyl-3-[3-(3-ethylsulfanyl-2-hydroxypropoxy)phenoxy]propan-2-ol
CID 23389743
anisole;ethane;methane;bis(3-phenoxypropane-1,2-diol);propane;yttrium
CID 159417970
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-aminooxy-3-phenoxypropan-2-ol
CID 13273091
1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol
CID 70425205
2-(2-hydroxy-3-phenoxypropyl)sulfanylbenzoic acid
CID 11472217

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol?
The IUPAC name of 3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol (CID 10967176) is 3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol?
The canonical SMILES for 3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol is OCC(O)CSCC(O)COc1ccccc1.
What is the InChIKey of 3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol?
The InChIKey is OHAUYRFFEHQLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4S/c13-6-10(14)8-17-9-11(15)7-16-12-4-2-1-3-5-12/h1-5,10-11,13-15H,6-9H2.
What are the key properties of 3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol?
3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol has a molecular weight of 258.34 g/mol, XLogP of 0.51, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol is sourced from PubChem (CID 10967176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).