1-cyclopropyl-2-(3-methylphenyl)sulfanylethanol

C12H16OS — CID 66087943

IUPAC1-cyclopropyl-2-(3-methylphenyl)sulfanylethanol
SMILESCc1cccc(SCC(O)C2CC2)c1
InChIInChI=1S/C12H16OS/c1-9-3-2-4-11(7-9)14-8-12(13)10-5-6-10/h2-4,7,10,12-13H,5-6,8H2,1H3
InChIKeyUSNFNUSDCKRKBI-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.86
Rot. Bonds4

About 1-cyclopropyl-2-(3-methylphenyl)sulfanylethanol

1-cyclopropyl-2-(3-methylphenyl)sulfanylethanol (PubChem CID 66087943) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-methylphenyl)sulfanylethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-methylphenyl)sulfanylethanol
PubChem CID66087943
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name1-cyclopropyl-2-(3-methylphenyl)sulfanylethanol
SMILESCc1cccc(SCC(O)C2CC2)c1
InChIInChI=1S/C12H16OS/c1-9-3-2-4-11(7-9)14-8-12(13)10-5-6-10/h2-4,7,10,12-13H,5-6,8H2,1H3
InChIKeyUSNFNUSDCKRKBI-UHFFFAOYSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol
CID 66088334
1-(3-methylphenyl)sulfanylpropan-2-ol
CID 61244165
1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64626290
2-(3-methylphenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol
CID 116517234
2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol
CID 82932372
[1-(4-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237204
1-(2,2-difluoroethylsulfanyl)-3-methylbenzene
CID 130741881
2-(3-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
CID 66086004
4,6-dimethyl-1-(3-methylphenyl)sulfanylheptan-2-ol
CID 114200730
1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol
CID 62267411
1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 66088132
2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol
CID 102831390

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-methylphenyl)sulfanylethanol?
The IUPAC name of 1-cyclopropyl-2-(3-methylphenyl)sulfanylethanol (CID 66087943) is 1-cyclopropyl-2-(3-methylphenyl)sulfanylethanol.
What is the SMILES notation for 1-cyclopropyl-2-(3-methylphenyl)sulfanylethanol?
The canonical SMILES for 1-cyclopropyl-2-(3-methylphenyl)sulfanylethanol is Cc1cccc(SCC(O)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-2-(3-methylphenyl)sulfanylethanol?
The InChIKey is USNFNUSDCKRKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-9-3-2-4-11(7-9)14-8-12(13)10-5-6-10/h2-4,7,10,12-13H,5-6,8H2,1H3.
What are the key properties of 1-cyclopropyl-2-(3-methylphenyl)sulfanylethanol?
1-cyclopropyl-2-(3-methylphenyl)sulfanylethanol has a molecular weight of 208.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-methylphenyl)sulfanylethanol is sourced from PubChem (CID 66087943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).