2-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol

C11H16O5S — CID 117037282

IUPAC2-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol
SMILESCOc1ccc(S(=O)(=O)C(C)(C)O)c(OC)c1
InChIInChI=1S/C11H16O5S/c1-11(2,12)17(13,14)10-6-5-8(15-3)7-9(10)16-4/h5-7,12H,1-4H3
InChIKeyYEOFIANCZJNAMT-UHFFFAOYSA-N
MW260.31 g/mol
LogP1.21
Rot. Bonds4

About 2-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol

2-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol (PubChem CID 117037282) has the molecular formula C11H16O5S and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol
PubChem CID117037282
Molecular FormulaC11H16O5S
Molecular Weight260.31 g/mol
Exact Mass260.07
IUPAC Name2-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol
SMILESCOc1ccc(S(=O)(=O)C(C)(C)O)c(OC)c1
InChIInChI=1S/C11H16O5S/c1-11(2,12)17(13,14)10-6-5-8(15-3)7-9(10)16-4/h5-7,12H,1-4H3
InChIKeyYEOFIANCZJNAMT-UHFFFAOYSA-N
XLogP1.21
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzenesulfonamide
CID 103931277
[(2,4-dimethoxyphenyl)sulfonylamino]urea
CID 140662030
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
2-[(2,4-dimethoxyphenyl)sulfonylamino]oxyacetamide
CID 112673485
N,N-dibutyl-2,4-dimethoxybenzenesulfonamide
CID 19682241
2,4-dimethoxyaniline;sulfuric acid
CID 160678823
2,4-dimethoxy-N,N-dipropylbenzenesulfonamide
CID 19682152
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
(4R,5R)-1,3-bis[(2,4-dimethoxyphenyl)sulfonyl]-4,5-dimethoxyimidazolidin-2-one
CID 57401834
4-[(2,4-dimethoxyphenyl)sulfonyl-methylamino]butanoic acid
CID 43238128
1-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817974
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol?
The IUPAC name of 2-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol (CID 117037282) is 2-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol is COc1ccc(S(=O)(=O)C(C)(C)O)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol?
The InChIKey is YEOFIANCZJNAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5S/c1-11(2,12)17(13,14)10-6-5-8(15-3)7-9(10)16-4/h5-7,12H,1-4H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol?
2-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol has a molecular weight of 260.31 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 117037282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).