1-(5-methylthiophen-2-yl)cyclobutan-1-ol

C9H12OS — CID 79081218

IUPAC1-(5-methylthiophen-2-yl)cyclobutan-1-ol
SMILESCc1ccc(C2(O)CCC2)s1
InChIInChI=1S/C9H12OS/c1-7-3-4-8(11-7)9(10)5-2-6-9/h3-4,10H,2,5-6H2,1H3
InChIKeyATTOSVOFWXYCIS-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.43
Rot. Bonds1

About 1-(5-methylthiophen-2-yl)cyclobutan-1-ol

1-(5-methylthiophen-2-yl)cyclobutan-1-ol (PubChem CID 79081218) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)cyclobutan-1-ol
PubChem CID79081218
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name1-(5-methylthiophen-2-yl)cyclobutan-1-ol
SMILESCc1ccc(C2(O)CCC2)s1
InChIInChI=1S/C9H12OS/c1-7-3-4-8(11-7)9(10)5-2-6-9/h3-4,10H,2,5-6H2,1H3
InChIKeyATTOSVOFWXYCIS-UHFFFAOYSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)cyclobutan-1-ol?
The IUPAC name of 1-(5-methylthiophen-2-yl)cyclobutan-1-ol (CID 79081218) is 1-(5-methylthiophen-2-yl)cyclobutan-1-ol.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)cyclobutan-1-ol?
The canonical SMILES for 1-(5-methylthiophen-2-yl)cyclobutan-1-ol is Cc1ccc(C2(O)CCC2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)cyclobutan-1-ol?
The InChIKey is ATTOSVOFWXYCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS/c1-7-3-4-8(11-7)9(10)5-2-6-9/h3-4,10H,2,5-6H2,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)cyclobutan-1-ol?
1-(5-methylthiophen-2-yl)cyclobutan-1-ol has a molecular weight of 168.26 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)cyclobutan-1-ol is sourced from PubChem (CID 79081218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).