1-(3-methyl-4-methylsulfanylphenyl)cyclopropan-1-ol

C11H14OS — CID 117284882

IUPAC1-(3-methyl-4-methylsulfanylphenyl)cyclopropan-1-ol
SMILESCSc1ccc(C2(O)CC2)cc1C
InChIInChI=1S/C11H14OS/c1-8-7-9(11(12)5-6-11)3-4-10(8)13-2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyPVZDTEMPHNEBPY-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.70
Rot. Bonds2

About 1-(3-methyl-4-methylsulfanylphenyl)cyclopropan-1-ol

1-(3-methyl-4-methylsulfanylphenyl)cyclopropan-1-ol (PubChem CID 117284882) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-(3-methyl-4-methylsulfanylphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(3-methyl-4-methylsulfanylphenyl)cyclopropan-1-ol
PubChem CID117284882
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name1-(3-methyl-4-methylsulfanylphenyl)cyclopropan-1-ol
SMILESCSc1ccc(C2(O)CC2)cc1C
InChIInChI=1S/C11H14OS/c1-8-7-9(11(12)5-6-11)3-4-10(8)13-2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyPVZDTEMPHNEBPY-UHFFFAOYSA-N
XLogP2.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-methylsulfanylphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(3-methyl-4-methylsulfanylphenyl)cyclopropan-1-ol (CID 117284882) is 1-(3-methyl-4-methylsulfanylphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(3-methyl-4-methylsulfanylphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(3-methyl-4-methylsulfanylphenyl)cyclopropan-1-ol is CSc1ccc(C2(O)CC2)cc1C.
What is the InChIKey of 1-(3-methyl-4-methylsulfanylphenyl)cyclopropan-1-ol?
The InChIKey is PVZDTEMPHNEBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-8-7-9(11(12)5-6-11)3-4-10(8)13-2/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 1-(3-methyl-4-methylsulfanylphenyl)cyclopropan-1-ol?
1-(3-methyl-4-methylsulfanylphenyl)cyclopropan-1-ol has a molecular weight of 194.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-methylsulfanylphenyl)cyclopropan-1-ol is sourced from PubChem (CID 117284882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).