(2S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol

C19H24O7S — CID 6976990

IUPAC(2S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol
SMILESCOc1ccc(COC[C@H](O)CS(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H24O7S/c1-23-16-6-4-14(5-7-16)11-26-12-15(20)13-27(21,22)17-8-9-18(24-2)19(10-17)25-3/h4-10,15,20H,11-13H2,1-3H3/t15-/m0/s1
InChIKeyMAVIDAPNVYNVTH-HNNXBMFYSA-N
MW396.46 g/mol
LogP2.06
Rot. Bonds10

About (2S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol

(2S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol (PubChem CID 6976990) has the molecular formula C19H24O7S and a molecular weight of 396.46 g/mol. Its IUPAC name is (2S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol
PubChem CID6976990
Molecular FormulaC19H24O7S
Molecular Weight396.46 g/mol
Exact Mass396.12
IUPAC Name(2S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol
SMILESCOc1ccc(COC[C@H](O)CS(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H24O7S/c1-23-16-6-4-14(5-7-16)11-26-12-15(20)13-27(21,22)17-8-9-18(24-2)19(10-17)25-3/h4-10,15,20H,11-13H2,1-3H3/t15-/m0/s1
InChIKeyMAVIDAPNVYNVTH-HNNXBMFYSA-N
XLogP2.06
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 6977010
(2R)-1-[(4-chlorophenyl)methylsulfonyl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 6977014
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide
CID 51126519
1-[[(2S)-3-(benzenesulfonyl)-2-methylpropoxy]methyl]-4-methoxybenzene
CID 10903767
(4S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-5-[(4-methoxyphenyl)methoxy]pentanamide
CID 11122591
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-ethylazanium
CID 2104429
1-[(3,4-dimethoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol
CID 67253770
(E,2S)-4-iodo-1-[(4-methoxyphenyl)methoxy]but-3-en-2-ol
CID 56651391
1-(4-tert-butyltriazol-1-yl)-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol
CID 166251416
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 102417589

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol?
The IUPAC name of (2S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol (CID 6976990) is (2S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol.
What is the SMILES notation for (2S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol?
The canonical SMILES for (2S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol is COc1ccc(COC[C@H](O)CS(=O)(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of (2S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol?
The InChIKey is MAVIDAPNVYNVTH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24O7S/c1-23-16-6-4-14(5-7-16)11-26-12-15(20)13-27(21,22)17-8-9-18(24-2)19(10-17)25-3/h4-10,15,20H,11-13H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol?
(2S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol has a molecular weight of 396.46 g/mol, XLogP of 2.06, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol is sourced from PubChem (CID 6976990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).