(2R)-1-(3-methylsulfonylphenoxy)-3-phenylmethoxypropan-2-ol

C17H20O5S — CID 167872482

IUPAC(2R)-1-(3-methylsulfonylphenoxy)-3-phenylmethoxypropan-2-ol
SMILESCS(=O)(=O)c1cccc(OC[C@H](O)COCc2ccccc2)c1
InChIInChI=1S/C17H20O5S/c1-23(19,20)17-9-5-8-16(10-17)22-13-15(18)12-21-11-14-6-3-2-4-7-14/h2-10,15,18H,11-13H2,1H3/t15-/m1/s1
InChIKeyWNDRLIPVWJQHQX-OAHLLOKOSA-N
MW336.41 g/mol
LogP2.05
Rot. Bonds8

About (2R)-1-(3-methylsulfonylphenoxy)-3-phenylmethoxypropan-2-ol

(2R)-1-(3-methylsulfonylphenoxy)-3-phenylmethoxypropan-2-ol (PubChem CID 167872482) has the molecular formula C17H20O5S and a molecular weight of 336.41 g/mol. Its IUPAC name is (2R)-1-(3-methylsulfonylphenoxy)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3-methylsulfonylphenoxy)-3-phenylmethoxypropan-2-ol
PubChem CID167872482
Molecular FormulaC17H20O5S
Molecular Weight336.41 g/mol
Exact Mass336.10
IUPAC Name(2R)-1-(3-methylsulfonylphenoxy)-3-phenylmethoxypropan-2-ol
SMILESCS(=O)(=O)c1cccc(OC[C@H](O)COCc2ccccc2)c1
InChIInChI=1S/C17H20O5S/c1-23(19,20)17-9-5-8-16(10-17)22-13-15(18)12-21-11-14-6-3-2-4-7-14/h2-10,15,18H,11-13H2,1H3/t15-/m1/s1
InChIKeyWNDRLIPVWJQHQX-OAHLLOKOSA-N
XLogP2.05
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] carbamate
CID 175231524
1-(3-methylsulfonylphenyl)-3-phenylmethoxypropan-2-amine
CID 123390478
1-(2,2-dimethoxyethoxy)-3-methylsulfonylbenzene
CID 66223828
(1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
CID 97243469
2-ethoxy-3-(3-methylsulfonylphenoxy)propanoic acid
CID 63074684
2-methyl-3-(3-methylsulfonylphenoxy)propanethioamide
CID 43807014
N-benzyl-2-(3-methylsulfonylphenoxy)-N-propan-2-ylacetamide
CID 55733109
(2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol
CID 129362160
4-[[4-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]methoxy]butane-1,3-diol
CID 138539275
2-methyl-3-(3-methylsulfonylphenoxy)propanenitrile
CID 43806985
[3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine
CID 43806918
1-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-methylsulfonylphenoxy)-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2R)-1-(3-methylsulfonylphenoxy)-3-phenylmethoxypropan-2-ol (CID 167872482) is (2R)-1-(3-methylsulfonylphenoxy)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2R)-1-(3-methylsulfonylphenoxy)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2R)-1-(3-methylsulfonylphenoxy)-3-phenylmethoxypropan-2-ol is CS(=O)(=O)c1cccc(OC[C@H](O)COCc2ccccc2)c1.
What is the InChIKey of (2R)-1-(3-methylsulfonylphenoxy)-3-phenylmethoxypropan-2-ol?
The InChIKey is WNDRLIPVWJQHQX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20O5S/c1-23(19,20)17-9-5-8-16(10-17)22-13-15(18)12-21-11-14-6-3-2-4-7-14/h2-10,15,18H,11-13H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-1-(3-methylsulfonylphenoxy)-3-phenylmethoxypropan-2-ol?
(2R)-1-(3-methylsulfonylphenoxy)-3-phenylmethoxypropan-2-ol has a molecular weight of 336.41 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-methylsulfonylphenoxy)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 167872482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).