1-(4-methylthiophen-3-yl)-2-propylcyclopropan-1-ol

C11H16OS — CID 79808663

IUPAC1-(4-methylthiophen-3-yl)-2-propylcyclopropan-1-ol
SMILESCCCC1CC1(O)c1cscc1C
InChIInChI=1S/C11H16OS/c1-3-4-9-5-11(9,12)10-7-13-6-8(10)2/h6-7,9,12H,3-5H2,1-2H3
InChIKeySBNQKMRJCDLXBE-UHFFFAOYSA-N
MW196.31 g/mol
LogP3.06
Rot. Bonds3

About 1-(4-methylthiophen-3-yl)-2-propylcyclopropan-1-ol

1-(4-methylthiophen-3-yl)-2-propylcyclopropan-1-ol (PubChem CID 79808663) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 1-(4-methylthiophen-3-yl)-2-propylcyclopropan-1-ol.

Molecular Properties

Compound Name1-(4-methylthiophen-3-yl)-2-propylcyclopropan-1-ol
PubChem CID79808663
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name1-(4-methylthiophen-3-yl)-2-propylcyclopropan-1-ol
SMILESCCCC1CC1(O)c1cscc1C
InChIInChI=1S/C11H16OS/c1-3-4-9-5-11(9,12)10-7-13-6-8(10)2/h6-7,9,12H,3-5H2,1-2H3
InChIKeySBNQKMRJCDLXBE-UHFFFAOYSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiophen-3-yl)-2-propylcyclopropan-1-ol?
The IUPAC name of 1-(4-methylthiophen-3-yl)-2-propylcyclopropan-1-ol (CID 79808663) is 1-(4-methylthiophen-3-yl)-2-propylcyclopropan-1-ol.
What is the SMILES notation for 1-(4-methylthiophen-3-yl)-2-propylcyclopropan-1-ol?
The canonical SMILES for 1-(4-methylthiophen-3-yl)-2-propylcyclopropan-1-ol is CCCC1CC1(O)c1cscc1C.
What is the InChIKey of 1-(4-methylthiophen-3-yl)-2-propylcyclopropan-1-ol?
The InChIKey is SBNQKMRJCDLXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-3-4-9-5-11(9,12)10-7-13-6-8(10)2/h6-7,9,12H,3-5H2,1-2H3.
What are the key properties of 1-(4-methylthiophen-3-yl)-2-propylcyclopropan-1-ol?
1-(4-methylthiophen-3-yl)-2-propylcyclopropan-1-ol has a molecular weight of 196.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiophen-3-yl)-2-propylcyclopropan-1-ol is sourced from PubChem (CID 79808663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).