(1R,2S)-1-(4-methylsulfonylphenyl)-1,3-bis(phenylmethoxy)propan-2-ol

C24H26O5S — CID 56837658

IUPAC(1R,2S)-1-(4-methylsulfonylphenyl)-1,3-bis(phenylmethoxy)propan-2-ol
SMILESCS(=O)(=O)c1ccc([C@@H](OCc2ccccc2)[C@@H](O)COCc2ccccc2)cc1
InChIInChI=1S/C24H26O5S/c1-30(26,27)22-14-12-21(13-15-22)24(29-17-20-10-6-3-7-11-20)23(25)18-28-16-19-8-4-2-5-9-19/h2-15,23-25H,16-18H2,1H3/t23-,24+/m0/s1
InChIKeyLVXFGMCGWCBPQP-BJKOFHAPSA-N
MW426.53 g/mol
LogP3.93
Rot. Bonds10

About (1R,2S)-1-(4-methylsulfonylphenyl)-1,3-bis(phenylmethoxy)propan-2-ol

(1R,2S)-1-(4-methylsulfonylphenyl)-1,3-bis(phenylmethoxy)propan-2-ol (PubChem CID 56837658) has the molecular formula C24H26O5S and a molecular weight of 426.53 g/mol. Its IUPAC name is (1R,2S)-1-(4-methylsulfonylphenyl)-1,3-bis(phenylmethoxy)propan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-(4-methylsulfonylphenyl)-1,3-bis(phenylmethoxy)propan-2-ol
PubChem CID56837658
Molecular FormulaC24H26O5S
Molecular Weight426.53 g/mol
Exact Mass426.15
IUPAC Name(1R,2S)-1-(4-methylsulfonylphenyl)-1,3-bis(phenylmethoxy)propan-2-ol
SMILESCS(=O)(=O)c1ccc([C@@H](OCc2ccccc2)[C@@H](O)COCc2ccccc2)cc1
InChIInChI=1S/C24H26O5S/c1-30(26,27)22-14-12-21(13-15-22)24(29-17-20-10-6-3-7-11-20)23(25)18-28-16-19-8-4-2-5-9-19/h2-15,23-25H,16-18H2,1H3/t23-,24+/m0/s1
InChIKeyLVXFGMCGWCBPQP-BJKOFHAPSA-N
XLogP3.93
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 13644871
(1R)-3-(benzenesulfonyl)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol
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CID 56659316
(1R,2S)-1,3-dimethoxy-1-(4-methylsulfonylphenyl)propan-2-ol
CID 56665069
(1S,2S)-1-(4-methylsulfonylphenyl)propane-1,2,3-triol
CID 56669660
(1S,2R)-1-(4-methylsulfonylphenyl)propane-1,2,3-triol
CID 56673169
(1R,2S)-3-methoxy-1-(4-methylsulfonylphenyl)propane-1,2-diol
CID 56673170
(2S,3R)-3-methoxy-3-(4-methylsulfonylphenyl)propane-1,2-diol
CID 56676499

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(4-methylsulfonylphenyl)-1,3-bis(phenylmethoxy)propan-2-ol?
The IUPAC name of (1R,2S)-1-(4-methylsulfonylphenyl)-1,3-bis(phenylmethoxy)propan-2-ol (CID 56837658) is (1R,2S)-1-(4-methylsulfonylphenyl)-1,3-bis(phenylmethoxy)propan-2-ol.
What is the SMILES notation for (1R,2S)-1-(4-methylsulfonylphenyl)-1,3-bis(phenylmethoxy)propan-2-ol?
The canonical SMILES for (1R,2S)-1-(4-methylsulfonylphenyl)-1,3-bis(phenylmethoxy)propan-2-ol is CS(=O)(=O)c1ccc([C@@H](OCc2ccccc2)[C@@H](O)COCc2ccccc2)cc1.
What is the InChIKey of (1R,2S)-1-(4-methylsulfonylphenyl)-1,3-bis(phenylmethoxy)propan-2-ol?
The InChIKey is LVXFGMCGWCBPQP-BJKOFHAPSA-N. The full InChI is InChI=1S/C24H26O5S/c1-30(26,27)22-14-12-21(13-15-22)24(29-17-20-10-6-3-7-11-20)23(25)18-28-16-19-8-4-2-5-9-19/h2-15,23-25H,16-18H2,1H3/t23-,24+/m0/s1.
What are the key properties of (1R,2S)-1-(4-methylsulfonylphenyl)-1,3-bis(phenylmethoxy)propan-2-ol?
(1R,2S)-1-(4-methylsulfonylphenyl)-1,3-bis(phenylmethoxy)propan-2-ol has a molecular weight of 426.53 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(4-methylsulfonylphenyl)-1,3-bis(phenylmethoxy)propan-2-ol is sourced from PubChem (CID 56837658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).