(2R)-3-[(R)-(4-phenoxyphenyl)methylsulfinyl]propane-1,2-diol

C16H18O4S — CID 40784533

IUPAC(2R)-3-[(R)-(4-phenoxyphenyl)methylsulfinyl]propane-1,2-diol
SMILESO=[S@](Cc1ccc(Oc2ccccc2)cc1)C[C@H](O)CO
InChIInChI=1S/C16H18O4S/c17-10-14(18)12-21(19)11-13-6-8-16(9-7-13)20-15-4-2-1-3-5-15/h1-9,14,17-18H,10-12H2/t14-,21-/m1/s1
InChIKeyCVKUHFHPMZEPJA-SPLOXXLWSA-N
MW306.38 g/mol
LogP2.08
Rot. Bonds7

About (2R)-3-[(R)-(4-phenoxyphenyl)methylsulfinyl]propane-1,2-diol

(2R)-3-[(R)-(4-phenoxyphenyl)methylsulfinyl]propane-1,2-diol (PubChem CID 40784533) has the molecular formula C16H18O4S and a molecular weight of 306.38 g/mol. Its IUPAC name is (2R)-3-[(R)-(4-phenoxyphenyl)methylsulfinyl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[(R)-(4-phenoxyphenyl)methylsulfinyl]propane-1,2-diol
PubChem CID40784533
Molecular FormulaC16H18O4S
Molecular Weight306.38 g/mol
Exact Mass306.09
IUPAC Name(2R)-3-[(R)-(4-phenoxyphenyl)methylsulfinyl]propane-1,2-diol
SMILESO=[S@](Cc1ccc(Oc2ccccc2)cc1)C[C@H](O)CO
InChIInChI=1S/C16H18O4S/c17-10-14(18)12-21(19)11-13-6-8-16(9-7-13)20-15-4-2-1-3-5-15/h1-9,14,17-18H,10-12H2/t14-,21-/m1/s1
InChIKeyCVKUHFHPMZEPJA-SPLOXXLWSA-N
XLogP2.08
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(R)-benzylsulfinyl]-3-phenoxypropan-2-ol
CID 27171525
(2S)-1-(4-chlorophenoxy)-3-[(S)-(4-chlorophenyl)methylsulfinyl]propan-2-ol
CID 11895499
N-(2,3-dihydroxypropyl)-N-(4-phenoxyphenyl)formamide
CID 71419276
2-(4-phenoxyphenyl)ethane-1,1-diol
CID 20703819
1-benzylsulfinyl-3-(ethylamino)propan-2-ol
CID 115476936
1-(4-acetylpiperazin-1-yl)-2-[(4-phenoxyphenyl)methylsulfinyl]ethanone
CID 11668471
[4-[4-(hydroxymethyl)phenoxy]phenyl]-triphenylphosphanium
CID 58948118
1-amino-3-[(4-chlorophenyl)methylsulfinyl]propan-2-ol
CID 114793183
ethane-1,2-diol;phenoxybenzene;phosphoric acid
CID 175293363
(2R)-2-amino-3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid
CID 131858350
(3R)-3-hydroxy-4-(4-phenoxyphenyl)butanenitrile
CID 125466058
3-phenoxypropane-1,2-diol
CID 10857

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(R)-(4-phenoxyphenyl)methylsulfinyl]propane-1,2-diol?
The IUPAC name of (2R)-3-[(R)-(4-phenoxyphenyl)methylsulfinyl]propane-1,2-diol (CID 40784533) is (2R)-3-[(R)-(4-phenoxyphenyl)methylsulfinyl]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[(R)-(4-phenoxyphenyl)methylsulfinyl]propane-1,2-diol?
The canonical SMILES for (2R)-3-[(R)-(4-phenoxyphenyl)methylsulfinyl]propane-1,2-diol is O=[S@](Cc1ccc(Oc2ccccc2)cc1)C[C@H](O)CO.
What is the InChIKey of (2R)-3-[(R)-(4-phenoxyphenyl)methylsulfinyl]propane-1,2-diol?
The InChIKey is CVKUHFHPMZEPJA-SPLOXXLWSA-N. The full InChI is InChI=1S/C16H18O4S/c17-10-14(18)12-21(19)11-13-6-8-16(9-7-13)20-15-4-2-1-3-5-15/h1-9,14,17-18H,10-12H2/t14-,21-/m1/s1.
What are the key properties of (2R)-3-[(R)-(4-phenoxyphenyl)methylsulfinyl]propane-1,2-diol?
(2R)-3-[(R)-(4-phenoxyphenyl)methylsulfinyl]propane-1,2-diol has a molecular weight of 306.38 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(R)-(4-phenoxyphenyl)methylsulfinyl]propane-1,2-diol is sourced from PubChem (CID 40784533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).