1-(2,4-dimethylphenoxy)-3-[(3-methylphenyl)methylsulfonyl]propan-2-ol

C19H24O4S — CID 47559553

IUPAC1-(2,4-dimethylphenoxy)-3-[(3-methylphenyl)methylsulfonyl]propan-2-ol
SMILESCc1cccc(CS(=O)(=O)CC(O)COc2ccc(C)cc2C)c1
InChIInChI=1S/C19H24O4S/c1-14-5-4-6-17(10-14)12-24(21,22)13-18(20)11-23-19-8-7-15(2)9-16(19)3/h4-10,18,20H,11-13H2,1-3H3
InChIKeySSUXTYQBRVRNCB-UHFFFAOYSA-N
MW348.46 g/mol
LogP2.97
Rot. Bonds7

About 1-(2,4-dimethylphenoxy)-3-[(3-methylphenyl)methylsulfonyl]propan-2-ol

1-(2,4-dimethylphenoxy)-3-[(3-methylphenyl)methylsulfonyl]propan-2-ol (PubChem CID 47559553) has the molecular formula C19H24O4S and a molecular weight of 348.46 g/mol. Its IUPAC name is 1-(2,4-dimethylphenoxy)-3-[(3-methylphenyl)methylsulfonyl]propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenoxy)-3-[(3-methylphenyl)methylsulfonyl]propan-2-ol
PubChem CID47559553
Molecular FormulaC19H24O4S
Molecular Weight348.46 g/mol
Exact Mass348.14
IUPAC Name1-(2,4-dimethylphenoxy)-3-[(3-methylphenyl)methylsulfonyl]propan-2-ol
SMILESCc1cccc(CS(=O)(=O)CC(O)COc2ccc(C)cc2C)c1
InChIInChI=1S/C19H24O4S/c1-14-5-4-6-17(10-14)12-24(21,22)13-18(20)11-23-19-8-7-15(2)9-16(19)3/h4-10,18,20H,11-13H2,1-3H3
InChIKeySSUXTYQBRVRNCB-UHFFFAOYSA-N
XLogP2.97
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dimethylphenoxy)-3-[(3-methylphenyl)methylsulfonyl]propan-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

1-(3-methylphenoxy)-3-[(4-methylphenyl)methylsulfonyl]propan-2-ol
CID 47561427
1-bromo-3-(2,4-dimethylphenoxy)propan-2-ol
CID 112560473
1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
CID 16637006
(2S)-1-[(3-methylphenyl)methylsulfonyl]-3-pyrazol-1-ylpropan-2-ol
CID 95141755
1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
CID 111107864
1-[(3-fluorophenyl)methylsulfonyl]-3-phenoxypropan-2-ol
CID 47560288
1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanamine
CID 64674060
1-benzylsulfonyl-3-methoxypropan-2-ol
CID 6456201
1-(2,4-dimethylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 2770301
1-(2,4-difluorophenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanol
CID 47559569
(2S)-1-(2,4-dimethylphenoxy)-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 11863217
N-methyl-1-[(3-methylphenyl)methylsulfonyl]butan-2-amine
CID 64675645

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenoxy)-3-[(3-methylphenyl)methylsulfonyl]propan-2-ol?
The IUPAC name of 1-(2,4-dimethylphenoxy)-3-[(3-methylphenyl)methylsulfonyl]propan-2-ol (CID 47559553) is 1-(2,4-dimethylphenoxy)-3-[(3-methylphenyl)methylsulfonyl]propan-2-ol.
What is the SMILES notation for 1-(2,4-dimethylphenoxy)-3-[(3-methylphenyl)methylsulfonyl]propan-2-ol?
The canonical SMILES for 1-(2,4-dimethylphenoxy)-3-[(3-methylphenyl)methylsulfonyl]propan-2-ol is Cc1cccc(CS(=O)(=O)CC(O)COc2ccc(C)cc2C)c1.
What is the InChIKey of 1-(2,4-dimethylphenoxy)-3-[(3-methylphenyl)methylsulfonyl]propan-2-ol?
The InChIKey is SSUXTYQBRVRNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4S/c1-14-5-4-6-17(10-14)12-24(21,22)13-18(20)11-23-19-8-7-15(2)9-16(19)3/h4-10,18,20H,11-13H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenoxy)-3-[(3-methylphenyl)methylsulfonyl]propan-2-ol?
1-(2,4-dimethylphenoxy)-3-[(3-methylphenyl)methylsulfonyl]propan-2-ol has a molecular weight of 348.46 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenoxy)-3-[(3-methylphenyl)methylsulfonyl]propan-2-ol is sourced from PubChem (CID 47559553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).