1-(3-cyclobutylphenyl)-2-methylsulfonylethanol

C13H18O3S — CID 115839105

IUPAC1-(3-cyclobutylphenyl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)c1cccc(C2CCC2)c1
InChIInChI=1S/C13H18O3S/c1-17(15,16)9-13(14)12-7-3-6-11(8-12)10-4-2-5-10/h3,6-8,10,13-14H,2,4-5,9H2,1H3
InChIKeyPJJJVWPWWAKEEJ-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.03
Rot. Bonds4

About 1-(3-cyclobutylphenyl)-2-methylsulfonylethanol

1-(3-cyclobutylphenyl)-2-methylsulfonylethanol (PubChem CID 115839105) has the molecular formula C13H18O3S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-methylsulfonylethanol
PubChem CID115839105
Molecular FormulaC13H18O3S
Molecular Weight254.35 g/mol
Exact Mass254.10
IUPAC Name1-(3-cyclobutylphenyl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)c1cccc(C2CCC2)c1
InChIInChI=1S/C13H18O3S/c1-17(15,16)9-13(14)12-7-3-6-11(8-12)10-4-2-5-10/h3,6-8,10,13-14H,2,4-5,9H2,1H3
InChIKeyPJJJVWPWWAKEEJ-UHFFFAOYSA-N
XLogP2.03
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclobutylphenyl)-2-methylsulfanylethanol
CID 114602219
1-(3-cyclobutylphenyl)pentan-1-ol
CID 114601319
1-(3-cyclohexylphenyl)propan-1-ol
CID 178189134
3-amino-1-(3-cyclobutylphenyl)propan-1-ol
CID 114601621
(3-cyclobutylphenyl)-cyclopropylmethanol
CID 114601273
3-(1-hydroxy-2-methylsulfonylethyl)phenol
CID 115029574
1-(3-cyclobutylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 114602227
1-(3-cyclobutylphenyl)-2-(2-methylphenyl)ethanol
CID 114602192
1-(3-cyclobutylphenyl)-2-(4-methoxyphenyl)ethanol
CID 114602177
1-(3-cyclopropylphenyl)octan-1-ol
CID 79981026
1-(3-cyclopropylphenyl)decan-1-ol
CID 79980400
1-(3-cyclopropylphenyl)heptan-1-ol
CID 79980321

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-methylsulfonylethanol?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-methylsulfonylethanol (CID 115839105) is 1-(3-cyclobutylphenyl)-2-methylsulfonylethanol.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-methylsulfonylethanol?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-methylsulfonylethanol is CS(=O)(=O)CC(O)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-methylsulfonylethanol?
The InChIKey is PJJJVWPWWAKEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3S/c1-17(15,16)9-13(14)12-7-3-6-11(8-12)10-4-2-5-10/h3,6-8,10,13-14H,2,4-5,9H2,1H3.
What are the key properties of 1-(3-cyclobutylphenyl)-2-methylsulfonylethanol?
1-(3-cyclobutylphenyl)-2-methylsulfonylethanol has a molecular weight of 254.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-2-methylsulfonylethanol is sourced from PubChem (CID 115839105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).