(2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol

C18H22O5S — CID 6977010

IUPAC(2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol
SMILESCOc1ccc(COC[C@@H](O)CS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H22O5S/c1-22-18-9-7-15(8-10-18)11-23-12-17(19)14-24(20,21)13-16-5-3-2-4-6-16/h2-10,17,19H,11-14H2,1H3/t17-/m1/s1
InChIKeySPTKCVZTIAUPHW-QGZVFWFLSA-N
MW350.44 g/mol
LogP2.19
Rot. Bonds9

About (2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol

(2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol (PubChem CID 6977010) has the molecular formula C18H22O5S and a molecular weight of 350.44 g/mol. Its IUPAC name is (2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol
PubChem CID6977010
Molecular FormulaC18H22O5S
Molecular Weight350.44 g/mol
Exact Mass350.12
IUPAC Name(2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol
SMILESCOc1ccc(COC[C@@H](O)CS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H22O5S/c1-22-18-9-7-15(8-10-18)11-23-12-17(19)14-24(20,21)13-16-5-3-2-4-6-16/h2-10,17,19H,11-14H2,1H3/t17-/m1/s1
InChIKeySPTKCVZTIAUPHW-QGZVFWFLSA-N
XLogP2.19
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(4-chlorophenyl)methylsulfonyl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 6977014
(2S)-1-benzylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 27171385
1-benzylsulfonyl-3-methoxypropan-2-ol
CID 6456201
1-[[(2S)-3-(benzenesulfonyl)-2-methylpropoxy]methyl]-4-methoxybenzene
CID 10903767
1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 170992001
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
(3S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenylmethoxybutan-2-one
CID 10860440
(2S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 6976990
(2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 99732497
(3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol
CID 20758158
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
(2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol
CID 93160595

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol?
The IUPAC name of (2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol (CID 6977010) is (2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol?
The canonical SMILES for (2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol is COc1ccc(COC[C@@H](O)CS(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of (2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol?
The InChIKey is SPTKCVZTIAUPHW-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22O5S/c1-22-18-9-7-15(8-10-18)11-23-12-17(19)14-24(20,21)13-16-5-3-2-4-6-16/h2-10,17,19H,11-14H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol?
(2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol has a molecular weight of 350.44 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol is sourced from PubChem (CID 6977010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).