1-(3-cyclobutylphenyl)-2-methylsulfanylethanol

C13H18OS — CID 114602219

IUPAC1-(3-cyclobutylphenyl)-2-methylsulfanylethanol
SMILESCSCC(O)c1cccc(C2CCC2)c1
InChIInChI=1S/C13H18OS/c1-15-9-13(14)12-7-3-6-11(8-12)10-4-2-5-10/h3,6-8,10,13-14H,2,4-5,9H2,1H3
InChIKeySCVKOONCLUFBDC-UHFFFAOYSA-N
MW222.35 g/mol
LogP3.35
Rot. Bonds4

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

1-(3-cyclobutylphenyl)-2-methylsulfanylethanol (PubChem CID 114602219) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-methylsulfanylethanol.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-methylsulfanylethanol
PubChem CID114602219
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name1-(3-cyclobutylphenyl)-2-methylsulfanylethanol
SMILESCSCC(O)c1cccc(C2CCC2)c1
InChIInChI=1S/C13H18OS/c1-15-9-13(14)12-7-3-6-11(8-12)10-4-2-5-10/h3,6-8,10,13-14H,2,4-5,9H2,1H3
InChIKeySCVKOONCLUFBDC-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-cyclobutylphenyl)-2-methylsulfanylethyl]hydrazine
CID 105213827
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
1-(3-cyclobutylphenyl)-2-methylsulfonylethanol
CID 115839105
(3-cyclobutylphenyl)-cyclopropylmethanol
CID 114601273
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-cyclobutylphenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103560284
1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine
CID 114603248
1-(3-cyclobutylphenyl)-2-cyclopropylethane-1,2-diol
CID 103456751

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-methylsulfanylethanol?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-methylsulfanylethanol (CID 114602219) is 1-(3-cyclobutylphenyl)-2-methylsulfanylethanol.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-methylsulfanylethanol?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-methylsulfanylethanol is CSCC(O)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-methylsulfanylethanol?
The InChIKey is SCVKOONCLUFBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c1-15-9-13(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-methylsulfanylethanol?
1-(3-cyclobutylphenyl)-2-methylsulfanylethanol has a molecular weight of 222.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-2-methylsulfanylethanol is sourced from PubChem (CID 114602219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).