3-(5-methylthiophen-2-yl)cyclohept-2-en-1-ol

C12H16OS — CID 107383538

IUPAC3-(5-methylthiophen-2-yl)cyclohept-2-en-1-ol
SMILESCc1ccc(C2=CC(O)CCCC2)s1
InChIInChI=1S/C12H16OS/c1-9-6-7-12(14-9)10-4-2-3-5-11(13)8-10/h6-8,11,13H,2-5H2,1H3
InChIKeyDGWUAPGLLNRHQX-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.37
Rot. Bonds1

About 3-(5-methylthiophen-2-yl)cyclohept-2-en-1-ol

3-(5-methylthiophen-2-yl)cyclohept-2-en-1-ol (PubChem CID 107383538) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)cyclohept-2-en-1-ol.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)cyclohept-2-en-1-ol
PubChem CID107383538
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name3-(5-methylthiophen-2-yl)cyclohept-2-en-1-ol
SMILESCc1ccc(C2=CC(O)CCCC2)s1
InChIInChI=1S/C12H16OS/c1-9-6-7-12(14-9)10-4-2-3-5-11(13)8-10/h6-8,11,13H,2-5H2,1H3
InChIKeyDGWUAPGLLNRHQX-UHFFFAOYSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)cyclohept-2-en-1-ol?
The IUPAC name of 3-(5-methylthiophen-2-yl)cyclohept-2-en-1-ol (CID 107383538) is 3-(5-methylthiophen-2-yl)cyclohept-2-en-1-ol.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)cyclohept-2-en-1-ol?
The canonical SMILES for 3-(5-methylthiophen-2-yl)cyclohept-2-en-1-ol is Cc1ccc(C2=CC(O)CCCC2)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)cyclohept-2-en-1-ol?
The InChIKey is DGWUAPGLLNRHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-9-6-7-12(14-9)10-4-2-3-5-11(13)8-10/h6-8,11,13H,2-5H2,1H3.
What are the key properties of 3-(5-methylthiophen-2-yl)cyclohept-2-en-1-ol?
3-(5-methylthiophen-2-yl)cyclohept-2-en-1-ol has a molecular weight of 208.33 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-2-yl)cyclohept-2-en-1-ol is sourced from PubChem (CID 107383538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).