1-(2,4-dichlorophenoxy)-3-(2,5-dimethoxyphenyl)sulfonylpropan-2-ol

C17H18Cl2O6S — CID 23847581

IUPAC1-(2,4-dichlorophenoxy)-3-(2,5-dimethoxyphenyl)sulfonylpropan-2-ol
SMILESCOc1ccc(OC)c(S(=O)(=O)CC(O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H18Cl2O6S/c1-23-13-4-6-16(24-2)17(8-13)26(21,22)10-12(20)9-25-15-5-3-11(18)7-14(15)19/h3-8,12,20H,9-10H2,1-2H3
InChIKeyCUHMKIAZAKGZRZ-UHFFFAOYSA-N
MW421.30 g/mol
LogP3.22
Rot. Bonds8

About 1-(2,4-dichlorophenoxy)-3-(2,5-dimethoxyphenyl)sulfonylpropan-2-ol

1-(2,4-dichlorophenoxy)-3-(2,5-dimethoxyphenyl)sulfonylpropan-2-ol (PubChem CID 23847581) has the molecular formula C17H18Cl2O6S and a molecular weight of 421.30 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-(2,5-dimethoxyphenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-3-(2,5-dimethoxyphenyl)sulfonylpropan-2-ol
PubChem CID23847581
Molecular FormulaC17H18Cl2O6S
Molecular Weight421.30 g/mol
Exact Mass420.02
IUPAC Name1-(2,4-dichlorophenoxy)-3-(2,5-dimethoxyphenyl)sulfonylpropan-2-ol
SMILESCOc1ccc(OC)c(S(=O)(=O)CC(O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H18Cl2O6S/c1-23-13-4-6-16(24-2)17(8-13)26(21,22)10-12(20)9-25-15-5-3-11(18)7-14(15)19/h3-8,12,20H,9-10H2,1-2H3
InChIKeyCUHMKIAZAKGZRZ-UHFFFAOYSA-N
XLogP3.22
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,4-dichlorophenoxy)-3-(2,5-dimethoxyphenyl)sulfonylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenoxy)propan-2-ol
CID 6976973
1-(2-chloro-4-fluorophenoxy)-3-(2-methoxyphenyl)sulfonylpropan-2-ol
CID 5156098
(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol
CID 1485345
(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)sulfonylpropan-2-ol
CID 1485361
(4-chlorophenyl) 2,5-dimethoxybenzenesulfonate
CID 26946259
1-(2,4-dichlorophenoxy)-3-pentoxypropan-2-ol
CID 71384988
(2S)-1-(4-chlorophenyl)sulfonyl-3-(3,4-dichlorophenoxy)propan-2-ol
CID 6976971
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate
CID 914130
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 3412619
(2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 31580914

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-(2,5-dimethoxyphenyl)sulfonylpropan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenoxy)-3-(2,5-dimethoxyphenyl)sulfonylpropan-2-ol (CID 23847581) is 1-(2,4-dichlorophenoxy)-3-(2,5-dimethoxyphenyl)sulfonylpropan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-(2,5-dimethoxyphenyl)sulfonylpropan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-(2,5-dimethoxyphenyl)sulfonylpropan-2-ol is COc1ccc(OC)c(S(=O)(=O)CC(O)COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-(2,5-dimethoxyphenyl)sulfonylpropan-2-ol?
The InChIKey is CUHMKIAZAKGZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O6S/c1-23-13-4-6-16(24-2)17(8-13)26(21,22)10-12(20)9-25-15-5-3-11(18)7-14(15)19/h3-8,12,20H,9-10H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenoxy)-3-(2,5-dimethoxyphenyl)sulfonylpropan-2-ol?
1-(2,4-dichlorophenoxy)-3-(2,5-dimethoxyphenyl)sulfonylpropan-2-ol has a molecular weight of 421.30 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenoxy)-3-(2,5-dimethoxyphenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 23847581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).