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

C12H16OS — CID 117298022

IUPAC1-[(3-methyl-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol
SMILESCSc1ccc(CC2(O)CC2)cc1C
InChIInChI=1S/C12H16OS/c1-9-7-10(3-4-11(9)14-2)8-12(13)5-6-12/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyFUUVILNTVOYBDM-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.78
Rot. Bonds3

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

1-[(3-methyl-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol (PubChem CID 117298022) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-[(3-methyl-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(3-methyl-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol
PubChem CID117298022
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name1-[(3-methyl-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol
SMILESCSc1ccc(CC2(O)CC2)cc1C
InChIInChI=1S/C12H16OS/c1-9-7-10(3-4-11(9)14-2)8-12(13)5-6-12/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyFUUVILNTVOYBDM-UHFFFAOYSA-N
XLogP2.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3-methyl-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(3-methyl-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol (CID 117298022) is 1-[(3-methyl-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(3-methyl-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(3-methyl-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol is CSc1ccc(CC2(O)CC2)cc1C.
What is the InChIKey of 1-[(3-methyl-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol?
The InChIKey is FUUVILNTVOYBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-9-7-10(3-4-11(9)14-2)8-12(13)5-6-12/h3-4,7,13H,5-6,8H2,1-2H3.
What are the key properties of 1-[(3-methyl-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol?
1-[(3-methyl-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol has a molecular weight of 208.33 g/mol, XLogP of 2.78, 3 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)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117298022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).