(2S)-1-[(R)-benzylsulfinyl]-3-phenoxypropan-2-ol

C16H18O3S — CID 27171525

IUPAC(2S)-1-[(R)-benzylsulfinyl]-3-phenoxypropan-2-ol
SMILESO=[S@](Cc1ccccc1)C[C@@H](O)COc1ccccc1
InChIInChI=1S/C16H18O3S/c17-15(11-19-16-9-5-2-6-10-16)13-20(18)12-14-7-3-1-4-8-14/h1-10,15,17H,11-13H2/t15-,20+/m0/s1
InChIKeyJJBQQVXRVCWGPG-MGPUTAFESA-N
MW290.38 g/mol
LogP2.38
Rot. Bonds7

About (2S)-1-[(R)-benzylsulfinyl]-3-phenoxypropan-2-ol

(2S)-1-[(R)-benzylsulfinyl]-3-phenoxypropan-2-ol (PubChem CID 27171525) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is (2S)-1-[(R)-benzylsulfinyl]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(R)-benzylsulfinyl]-3-phenoxypropan-2-ol
PubChem CID27171525
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name(2S)-1-[(R)-benzylsulfinyl]-3-phenoxypropan-2-ol
SMILESO=[S@](Cc1ccccc1)C[C@@H](O)COc1ccccc1
InChIInChI=1S/C16H18O3S/c17-15(11-19-16-9-5-2-6-10-16)13-20(18)12-14-7-3-1-4-8-14/h1-10,15,17H,11-13H2/t15-,20+/m0/s1
InChIKeyJJBQQVXRVCWGPG-MGPUTAFESA-N
XLogP2.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-[(R)-(4-phenoxyphenyl)methylsulfinyl]propane-1,2-diol
CID 40784533
2-hydroxy-3-phenoxypropane-1-sulfonic acid
CID 10149155
3-phenoxypropane-1,2-diol
CID 158587241
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
3-phenoxypropane-1,2-diol
CID 10857
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
actinium;3-phenoxypropane-1,2-diol
CID 22981458
1-[4-(aminomethyl)phenoxy]-3-butylsulfinylpropan-2-ol
CID 81328669
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-aminooxy-3-phenoxypropan-2-ol
CID 13273091
2-hydroxy-3-phenoxypropanoic acid
CID 67592895
benzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate
CID 102235547

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(R)-benzylsulfinyl]-3-phenoxypropan-2-ol?
The IUPAC name of (2S)-1-[(R)-benzylsulfinyl]-3-phenoxypropan-2-ol (CID 27171525) is (2S)-1-[(R)-benzylsulfinyl]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[(R)-benzylsulfinyl]-3-phenoxypropan-2-ol?
The canonical SMILES for (2S)-1-[(R)-benzylsulfinyl]-3-phenoxypropan-2-ol is O=[S@](Cc1ccccc1)C[C@@H](O)COc1ccccc1.
What is the InChIKey of (2S)-1-[(R)-benzylsulfinyl]-3-phenoxypropan-2-ol?
The InChIKey is JJBQQVXRVCWGPG-MGPUTAFESA-N. The full InChI is InChI=1S/C16H18O3S/c17-15(11-19-16-9-5-2-6-10-16)13-20(18)12-14-7-3-1-4-8-14/h1-10,15,17H,11-13H2/t15-,20+/m0/s1.
What are the key properties of (2S)-1-[(R)-benzylsulfinyl]-3-phenoxypropan-2-ol?
(2S)-1-[(R)-benzylsulfinyl]-3-phenoxypropan-2-ol has a molecular weight of 290.38 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(R)-benzylsulfinyl]-3-phenoxypropan-2-ol is sourced from PubChem (CID 27171525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).