1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol

C16H18O3S — CID 114979015

IUPAC1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol
SMILESCS(=O)(=O)c1ccc(C(O)CCc2ccccc2)cc1
InChIInChI=1S/C16H18O3S/c1-20(18,19)15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-6,8-11,16-17H,7,12H2,1H3
InChIKeyZKOAYUSQPUTMIX-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.76
Rot. Bonds5

About 1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol

1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol (PubChem CID 114979015) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol
PubChem CID114979015
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol
SMILESCS(=O)(=O)c1ccc(C(O)CCc2ccccc2)cc1
InChIInChI=1S/C16H18O3S/c1-20(18,19)15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-6,8-11,16-17H,7,12H2,1H3
InChIKeyZKOAYUSQPUTMIX-UHFFFAOYSA-N
XLogP2.76
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylsulfonylphenyl)-2-phenylethanol
CID 19073233
(1R)-2-[[(2S)-4-(4-methylsulfonylphenyl)butan-2-yl]amino]-1-phenylethanol;hydrochloride
CID 70469832
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
1-(4-nitrophenyl)-3-phenylpropan-1-ol
CID 155543661
1-(4-methylsulfonylphenyl)heptan-1-ol
CID 115783500
5-[4-(3-methylsulfonylphenyl)phenyl]-1-phenylpentan-1-ol
CID 59495191
1-(4-methylsulfonylphenyl)pent-4-yn-1-ol
CID 115799453
2-bromo-1-(4-methylsulfonylphenyl)ethanol
CID 13337385
(1S,2R)-1-amino-1-(4-methylsulfonylphenyl)-3-phenylpropan-2-ol
CID 171266575
3-hydroxy-5-(4-methylsulfonylphenyl)pentanoic acid
CID 174954090
1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol
CID 110896898
3-(2-methylpyrazol-3-yl)-1-(4-methylsulfonylphenyl)propan-1-ol
CID 103028007

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol?
The IUPAC name of 1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol (CID 114979015) is 1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol is CS(=O)(=O)c1ccc(C(O)CCc2ccccc2)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol?
The InChIKey is ZKOAYUSQPUTMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-20(18,19)15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-6,8-11,16-17H,7,12H2,1H3.
What are the key properties of 1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol?
1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol has a molecular weight of 290.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol is sourced from PubChem (CID 114979015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).