2-ethyl-1-(4-methylthiophen-3-yl)cyclopropan-1-ol

C10H14OS — CID 79808561

IUPAC2-ethyl-1-(4-methylthiophen-3-yl)cyclopropan-1-ol
SMILESCCC1CC1(O)c1cscc1C
InChIInChI=1S/C10H14OS/c1-3-8-4-10(8,11)9-6-12-5-7(9)2/h5-6,8,11H,3-4H2,1-2H3
InChIKeyRAKYFSJDSFQYNN-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.67
Rot. Bonds2

About 2-ethyl-1-(4-methylthiophen-3-yl)cyclopropan-1-ol

2-ethyl-1-(4-methylthiophen-3-yl)cyclopropan-1-ol (PubChem CID 79808561) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-ethyl-1-(4-methylthiophen-3-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(4-methylthiophen-3-yl)cyclopropan-1-ol
PubChem CID79808561
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name2-ethyl-1-(4-methylthiophen-3-yl)cyclopropan-1-ol
SMILESCCC1CC1(O)c1cscc1C
InChIInChI=1S/C10H14OS/c1-3-8-4-10(8,11)9-6-12-5-7(9)2/h5-6,8,11H,3-4H2,1-2H3
InChIKeyRAKYFSJDSFQYNN-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methylthiophen-3-yl)cyclopropan-1-ol?
The IUPAC name of 2-ethyl-1-(4-methylthiophen-3-yl)cyclopropan-1-ol (CID 79808561) is 2-ethyl-1-(4-methylthiophen-3-yl)cyclopropan-1-ol.
What is the SMILES notation for 2-ethyl-1-(4-methylthiophen-3-yl)cyclopropan-1-ol?
The canonical SMILES for 2-ethyl-1-(4-methylthiophen-3-yl)cyclopropan-1-ol is CCC1CC1(O)c1cscc1C.
What is the InChIKey of 2-ethyl-1-(4-methylthiophen-3-yl)cyclopropan-1-ol?
The InChIKey is RAKYFSJDSFQYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-3-8-4-10(8,11)9-6-12-5-7(9)2/h5-6,8,11H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-1-(4-methylthiophen-3-yl)cyclopropan-1-ol?
2-ethyl-1-(4-methylthiophen-3-yl)cyclopropan-1-ol has a molecular weight of 182.29 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methylthiophen-3-yl)cyclopropan-1-ol is sourced from PubChem (CID 79808561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).