4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol

C17H20O3S — CID 65148469

IUPAC4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol
SMILESCS(=O)(=O)CCCC(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20O3S/c1-21(19,20)13-5-8-17(18)16-11-9-15(10-12-16)14-6-3-2-4-7-14/h2-4,6-7,9-12,17-18H,5,8,13H2,1H3
InChIKeyYZMIOBYAMVWGMA-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.21
Rot. Bonds6

About 4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol

4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol (PubChem CID 65148469) has the molecular formula C17H20O3S and a molecular weight of 304.41 g/mol. Its IUPAC name is 4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol.

Molecular Properties

Compound Name4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol
PubChem CID65148469
Molecular FormulaC17H20O3S
Molecular Weight304.41 g/mol
Exact Mass304.11
IUPAC Name4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol
SMILESCS(=O)(=O)CCCC(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20O3S/c1-21(19,20)13-5-8-17(18)16-11-9-15(10-12-16)14-6-3-2-4-7-14/h2-4,6-7,9-12,17-18H,5,8,13H2,1H3
InChIKeyYZMIOBYAMVWGMA-UHFFFAOYSA-N
XLogP3.21
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfonyl-1-(4-propan-2-ylphenyl)butan-1-ol
CID 55160995
1-(3,4-dimethylphenyl)-4-methylsulfonylbutan-1-ol
CID 65148500
4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butan-1-ol
CID 65148112
5-methylsulfonyl-2-phenylpentan-1-ol
CID 66058366
4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol
CID 63192618
(1S)-2-(3-methylsulfonylpropylamino)-1-phenylethanol
CID 93451131
5-ethylsulfonyl-1-phenylpentan-1-ol
CID 65095328
1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol
CID 62606467
2-methyl-5-methylsulfonyl-1-phenylpentan-1-one
CID 104844968
1-(3-bromo-4-methylphenyl)-4-methylsulfonylbutan-1-ol
CID 115780268
1-(4-chloro-3-methylphenyl)-4-methylsulfonylbutan-1-ol
CID 115780257
1-[3-(dimethylamino)phenyl]-4-methylsulfonylbutan-1-ol
CID 105082550

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol?
The IUPAC name of 4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol (CID 65148469) is 4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol.
What is the SMILES notation for 4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol?
The canonical SMILES for 4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol is CS(=O)(=O)CCCC(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol?
The InChIKey is YZMIOBYAMVWGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3S/c1-21(19,20)13-5-8-17(18)16-11-9-15(10-12-16)14-6-3-2-4-7-14/h2-4,6-7,9-12,17-18H,5,8,13H2,1H3.
What are the key properties of 4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol?
4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol has a molecular weight of 304.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol is sourced from PubChem (CID 65148469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).