1-(3-methylsulfonylphenyl)-2-phenylethanol

C15H16O3S — CID 114976498

IUPAC1-(3-methylsulfonylphenyl)-2-phenylethanol
SMILESCS(=O)(=O)c1cccc(C(O)Cc2ccccc2)c1
InChIInChI=1S/C15H16O3S/c1-19(17,18)14-9-5-8-13(11-14)15(16)10-12-6-3-2-4-7-12/h2-9,11,15-16H,10H2,1H3
InChIKeyBXPVXNXDDFLAEM-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.37
Rot. Bonds4

About 1-(3-methylsulfonylphenyl)-2-phenylethanol

1-(3-methylsulfonylphenyl)-2-phenylethanol (PubChem CID 114976498) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(3-methylsulfonylphenyl)-2-phenylethanol.

Molecular Properties

Compound Name1-(3-methylsulfonylphenyl)-2-phenylethanol
PubChem CID114976498
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name1-(3-methylsulfonylphenyl)-2-phenylethanol
SMILESCS(=O)(=O)c1cccc(C(O)Cc2ccccc2)c1
InChIInChI=1S/C15H16O3S/c1-19(17,18)14-9-5-8-13(11-14)15(16)10-12-6-3-2-4-7-12/h2-9,11,15-16H,10H2,1H3
InChIKeyBXPVXNXDDFLAEM-UHFFFAOYSA-N
XLogP2.37
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine
CID 105283041
1-(4-methylsulfonylphenyl)-2-phenylethanol
CID 19073233
2-methoxy-1-(3-methylsulfonylphenyl)ethanol
CID 115819101
1-(3-methylsulfonylphenyl)heptan-1-ol
CID 115783497
1-(3-methylsulfonylphenyl)nonan-1-ol
CID 115784026
2-phenyl-1-(3-propan-2-ylphenyl)ethanol
CID 59798288
1-(3-methylsulfonylphenyl)-4-phenylbutan-1-amine
CID 115849458
3-methyl-1-(3-methylsulfonylphenyl)hexan-1-ol
CID 115789020
(3-methylsulfonylphenyl) 2-methyl-3-phenylpropanoate
CID 174937203
(1R)-1,2-diphenylethanol
CID 1379022
2-(4-methylphenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115788166
1-[3-(difluoromethyl)phenyl]-2-phenylethanol
CID 115527640

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylphenyl)-2-phenylethanol?
The IUPAC name of 1-(3-methylsulfonylphenyl)-2-phenylethanol (CID 114976498) is 1-(3-methylsulfonylphenyl)-2-phenylethanol.
What is the SMILES notation for 1-(3-methylsulfonylphenyl)-2-phenylethanol?
The canonical SMILES for 1-(3-methylsulfonylphenyl)-2-phenylethanol is CS(=O)(=O)c1cccc(C(O)Cc2ccccc2)c1.
What is the InChIKey of 1-(3-methylsulfonylphenyl)-2-phenylethanol?
The InChIKey is BXPVXNXDDFLAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-19(17,18)14-9-5-8-13(11-14)15(16)10-12-6-3-2-4-7-12/h2-9,11,15-16H,10H2,1H3.
What are the key properties of 1-(3-methylsulfonylphenyl)-2-phenylethanol?
1-(3-methylsulfonylphenyl)-2-phenylethanol has a molecular weight of 276.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylphenyl)-2-phenylethanol is sourced from PubChem (CID 114976498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).