1-(4-ethylphenyl)-2-propan-2-ylsulfanylethanol

C13H20OS — CID 65132157

IUPAC1-(4-ethylphenyl)-2-propan-2-ylsulfanylethanol
SMILESCCc1ccc(C(O)CSC(C)C)cc1
InChIInChI=1S/C13H20OS/c1-4-11-5-7-12(8-6-11)13(14)9-15-10(2)3/h5-8,10,13-14H,4,9H2,1-3H3
InChIKeyFCNYLEKGGNUIEU-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.42
Rot. Bonds5

About 1-(4-ethylphenyl)-2-propan-2-ylsulfanylethanol

1-(4-ethylphenyl)-2-propan-2-ylsulfanylethanol (PubChem CID 65132157) has the molecular formula C13H20OS and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-propan-2-ylsulfanylethanol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-propan-2-ylsulfanylethanol
PubChem CID65132157
Molecular FormulaC13H20OS
Molecular Weight224.37 g/mol
Exact Mass224.12
IUPAC Name1-(4-ethylphenyl)-2-propan-2-ylsulfanylethanol
SMILESCCc1ccc(C(O)CSC(C)C)cc1
InChIInChI=1S/C13H20OS/c1-4-11-5-7-12(8-6-11)13(14)9-15-10(2)3/h5-8,10,13-14H,4,9H2,1-3H3
InChIKeyFCNYLEKGGNUIEU-UHFFFAOYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-phenylsulfanylethanol
CID 4786904
[1-(4-ethylphenyl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 105226219
(1R)-1-(4-ethylphenyl)butan-1-ol
CID 39237012
(1S)-2-amino-1-(4-ethylphenyl)ethanol
CID 42182576
1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol
CID 61088685
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
3-amino-1-(4-ethylphenyl)propan-1-ol
CID 55269424
1-[4-(4-ethylphenyl)phenyl]ethanol
CID 139710223
4-(4-ethylphenyl)-4-hydroxy-2-methylbutanenitrile
CID 82112585
2-amino-1-(4-ethylphenyl)propan-1-ol
CID 43209069
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-propan-2-ylsulfanylethanol?
The IUPAC name of 1-(4-ethylphenyl)-2-propan-2-ylsulfanylethanol (CID 65132157) is 1-(4-ethylphenyl)-2-propan-2-ylsulfanylethanol.
What is the SMILES notation for 1-(4-ethylphenyl)-2-propan-2-ylsulfanylethanol?
The canonical SMILES for 1-(4-ethylphenyl)-2-propan-2-ylsulfanylethanol is CCc1ccc(C(O)CSC(C)C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-propan-2-ylsulfanylethanol?
The InChIKey is FCNYLEKGGNUIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OS/c1-4-11-5-7-12(8-6-11)13(14)9-15-10(2)3/h5-8,10,13-14H,4,9H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-propan-2-ylsulfanylethanol?
1-(4-ethylphenyl)-2-propan-2-ylsulfanylethanol has a molecular weight of 224.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-propan-2-ylsulfanylethanol is sourced from PubChem (CID 65132157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).