1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol

C12H16O2S — CID 114519028

IUPAC1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol
SMILESCSCC(O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C12H16O2S/c1-15-8-12(13)9-2-4-10(5-3-9)14-11-6-7-11/h2-5,11-13H,6-8H2,1H3
InChIKeyVNRYEJPWNWSUBA-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.62
Rot. Bonds5

About 1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol

1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol (PubChem CID 114519028) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol
PubChem CID114519028
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol
SMILESCSCC(O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C12H16O2S/c1-15-8-12(13)9-2-4-10(5-3-9)14-11-6-7-11/h2-5,11-13H,6-8H2,1H3
InChIKeyVNRYEJPWNWSUBA-UHFFFAOYSA-N
XLogP2.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583
2-butan-2-ylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanol
CID 114519052
1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol
CID 114519068
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502
1-(4-cyclopropyloxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 114519008
2-cyclopentyl-1-(4-cyclopropyloxyphenyl)ethanol
CID 115838412
2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol
CID 114520400
1-(4-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114519020
cyclobutyl-(4-cyclopropyloxyphenyl)methanol
CID 114518671
1-(4-cyclopropyloxyphenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927747
(1R)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-ol
CID 64736309
1-(4-cyclopropyloxyphenyl)-2-(oxolan-3-yl)ethanol
CID 114519142

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol (CID 114519028) is 1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol is CSCC(O)c1ccc(OC2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol?
The InChIKey is VNRYEJPWNWSUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S/c1-15-8-12(13)9-2-4-10(5-3-9)14-11-6-7-11/h2-5,11-13H,6-8H2,1H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol?
1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol has a molecular weight of 224.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol is sourced from PubChem (CID 114519028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).