(2R)-2-methyl-3-phenylmethoxy-2-phenylsulfanylpropan-1-ol

C17H20O2S — CID 102391080

IUPAC(2R)-2-methyl-3-phenylmethoxy-2-phenylsulfanylpropan-1-ol
SMILESC[C@@](CO)(COCc1ccccc1)Sc1ccccc1
InChIInChI=1S/C17H20O2S/c1-17(13-18,20-16-10-6-3-7-11-16)14-19-12-15-8-4-2-5-9-15/h2-11,18H,12-14H2,1H3/t17-/m1/s1
InChIKeyAKEBMCDLKZENQZ-QGZVFWFLSA-N
MW288.41 g/mol
LogP3.75
Rot. Bonds7

About (2R)-2-methyl-3-phenylmethoxy-2-phenylsulfanylpropan-1-ol

(2R)-2-methyl-3-phenylmethoxy-2-phenylsulfanylpropan-1-ol (PubChem CID 102391080) has the molecular formula C17H20O2S and a molecular weight of 288.41 g/mol. Its IUPAC name is (2R)-2-methyl-3-phenylmethoxy-2-phenylsulfanylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-methyl-3-phenylmethoxy-2-phenylsulfanylpropan-1-ol
PubChem CID102391080
Molecular FormulaC17H20O2S
Molecular Weight288.41 g/mol
Exact Mass288.12
IUPAC Name(2R)-2-methyl-3-phenylmethoxy-2-phenylsulfanylpropan-1-ol
SMILESC[C@@](CO)(COCc1ccccc1)Sc1ccccc1
InChIInChI=1S/C17H20O2S/c1-17(13-18,20-16-10-6-3-7-11-16)14-19-12-15-8-4-2-5-9-15/h2-11,18H,12-14H2,1H3/t17-/m1/s1
InChIKeyAKEBMCDLKZENQZ-QGZVFWFLSA-N
XLogP3.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 101086068
(2R)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 11344600
2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol
CID 11974408
2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802
2-amino-2-(phenylmethoxymethyl)propane-1,3-diol
CID 720755
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
2-[(dimethylamino)methyl]-2-methyl-3-phenylmethoxypropan-1-ol
CID 15348373
2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol
CID 165127154
[3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene
CID 166487361
(2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid
CID 121267296
acetic acid;phenylmethoxymethylbenzene
CID 175214238
dimethyltin;phenylmethoxymethylbenzene
CID 87392963

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-phenylmethoxy-2-phenylsulfanylpropan-1-ol?
The IUPAC name of (2R)-2-methyl-3-phenylmethoxy-2-phenylsulfanylpropan-1-ol (CID 102391080) is (2R)-2-methyl-3-phenylmethoxy-2-phenylsulfanylpropan-1-ol.
What is the SMILES notation for (2R)-2-methyl-3-phenylmethoxy-2-phenylsulfanylpropan-1-ol?
The canonical SMILES for (2R)-2-methyl-3-phenylmethoxy-2-phenylsulfanylpropan-1-ol is C[C@@](CO)(COCc1ccccc1)Sc1ccccc1.
What is the InChIKey of (2R)-2-methyl-3-phenylmethoxy-2-phenylsulfanylpropan-1-ol?
The InChIKey is AKEBMCDLKZENQZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20O2S/c1-17(13-18,20-16-10-6-3-7-11-16)14-19-12-15-8-4-2-5-9-15/h2-11,18H,12-14H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-2-methyl-3-phenylmethoxy-2-phenylsulfanylpropan-1-ol?
(2R)-2-methyl-3-phenylmethoxy-2-phenylsulfanylpropan-1-ol has a molecular weight of 288.41 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-phenylmethoxy-2-phenylsulfanylpropan-1-ol is sourced from PubChem (CID 102391080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).