1-(4-methylphenyl)sulfinyl-3-phenylpropan-2-ol

C16H18O2S — CID 134931619

IUPAC1-(4-methylphenyl)sulfinyl-3-phenylpropan-2-ol
SMILESCc1ccc(S(=O)CC(O)Cc2ccccc2)cc1
InChIInChI=1S/C16H18O2S/c1-13-7-9-16(10-8-13)19(18)12-15(17)11-14-5-3-2-4-6-14/h2-10,15,17H,11-12H2,1H3
InChIKeyXFEUKQPOTSQLSX-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.71
Rot. Bonds5

About 1-(4-methylphenyl)sulfinyl-3-phenylpropan-2-ol

1-(4-methylphenyl)sulfinyl-3-phenylpropan-2-ol (PubChem CID 134931619) has the molecular formula C16H18O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfinyl-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfinyl-3-phenylpropan-2-ol
PubChem CID134931619
Molecular FormulaC16H18O2S
Molecular Weight274.39 g/mol
Exact Mass274.10
IUPAC Name1-(4-methylphenyl)sulfinyl-3-phenylpropan-2-ol
SMILESCc1ccc(S(=O)CC(O)Cc2ccccc2)cc1
InChIInChI=1S/C16H18O2S/c1-13-7-9-16(10-8-13)19(18)12-15(17)11-14-5-3-2-4-6-14/h2-10,15,17H,11-12H2,1H3
InChIKeyXFEUKQPOTSQLSX-UHFFFAOYSA-N
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R,5R)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11595883
1-Phenyl-2-(phenylsulfinyl)ethanol
CID 288472
1-[2-(4-Hydroxymethylphenyl)cyclopenten-1-yl]-4-(methylsulfonyl)benzene
CID 10426661
(3S,4S,5S)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11538009
(3S,4S,5R)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11639352
3-(4-Methanesulfonyl-phenyl)-4,4-dimethyl-2-phenyl-cyclobut-2-enol
CID 18969768
(1R)-1-(4-methanesulfonylphenyl)ethan-1-ol
CID 25324440
4-(4-Methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol
CID 155541121
5-(4-Methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol
CID 155552943
6-(6-Hydroxy-5-methyl-5-phenylhexylsulfinyl)-2-methyl-2-phenylhexan-1-ol
CID 9980142
5-(5-Hydroxy-4-methyl-4-phenylpentylsulfinyl)-2-methyl-2-phenylpentan-1-ol
CID 10092534
(3S,4R,5S)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11717697

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfinyl-3-phenylpropan-2-ol?
The IUPAC name of 1-(4-methylphenyl)sulfinyl-3-phenylpropan-2-ol (CID 134931619) is 1-(4-methylphenyl)sulfinyl-3-phenylpropan-2-ol.
What is the SMILES notation for 1-(4-methylphenyl)sulfinyl-3-phenylpropan-2-ol?
The canonical SMILES for 1-(4-methylphenyl)sulfinyl-3-phenylpropan-2-ol is Cc1ccc(S(=O)CC(O)Cc2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfinyl-3-phenylpropan-2-ol?
The InChIKey is XFEUKQPOTSQLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-13-7-9-16(10-8-13)19(18)12-15(17)11-14-5-3-2-4-6-14/h2-10,15,17H,11-12H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfinyl-3-phenylpropan-2-ol?
1-(4-methylphenyl)sulfinyl-3-phenylpropan-2-ol has a molecular weight of 274.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfinyl-3-phenylpropan-2-ol is sourced from PubChem (CID 134931619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).