7-(4-methylthiophen-3-yl)bicyclo[4.1.0]heptan-7-ol

C12H16OS — CID 79808758

IUPAC7-(4-methylthiophen-3-yl)bicyclo[4.1.0]heptan-7-ol
SMILESCc1cscc1C1(O)C2CCCCC21
InChIInChI=1S/C12H16OS/c1-8-6-14-7-11(8)12(13)9-4-2-3-5-10(9)12/h6-7,9-10,13H,2-5H2,1H3
InChIKeyADJBZRPPRNBXNY-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.06
Rot. Bonds1

About 7-(4-methylthiophen-3-yl)bicyclo[4.1.0]heptan-7-ol

7-(4-methylthiophen-3-yl)bicyclo[4.1.0]heptan-7-ol (PubChem CID 79808758) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 7-(4-methylthiophen-3-yl)bicyclo[4.1.0]heptan-7-ol.

Molecular Properties

Compound Name7-(4-methylthiophen-3-yl)bicyclo[4.1.0]heptan-7-ol
PubChem CID79808758
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name7-(4-methylthiophen-3-yl)bicyclo[4.1.0]heptan-7-ol
SMILESCc1cscc1C1(O)C2CCCCC21
InChIInChI=1S/C12H16OS/c1-8-6-14-7-11(8)12(13)9-4-2-3-5-10(9)12/h6-7,9-10,13H,2-5H2,1H3
InChIKeyADJBZRPPRNBXNY-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-(4-methylthiophen-3-yl)bicyclo[4.1.0]heptan-7-ol with MolForge

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Related Compounds

2-Methyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-ol
CID 112745477
1-[4-(Trifluoromethyl)thiophen-3-yl]cycloheptan-1-ol
CID 112745478
1-Thiophen-3-ylcyclohexan-1-ol
CID 12647471
3-Methyl-1-(thiophen-3-yl)cyclohexan-1-ol
CID 13245937
4-Methyl-1-thiophen-3-ylcyclohexan-1-ol
CID 20793070
1-Cyclopropyl-2-phenyl-1-thiophen-2-ylethanol
CID 57276129
1-Thiophen-3-ylcycloheptan-1-ol
CID 65100064
2-Cyclohexyl-3-thiophen-3-ylpent-1-en-3-ol
CID 89705571
2-Cyclohexyl-3-thiophen-3-ylpentan-3-ol
CID 89705580
1-Cyclohexyl-3-thiophen-3-ylpentan-3-ol
CID 89705584
1-Cyclopentyl-1-thiophen-3-ylethanol
CID 121353831
Ethane;4-methyl-1-thiophen-3-ylcyclohexan-1-ol
CID 142025603

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylthiophen-3-yl)bicyclo[4.1.0]heptan-7-ol?
The IUPAC name of 7-(4-methylthiophen-3-yl)bicyclo[4.1.0]heptan-7-ol (CID 79808758) is 7-(4-methylthiophen-3-yl)bicyclo[4.1.0]heptan-7-ol.
What is the SMILES notation for 7-(4-methylthiophen-3-yl)bicyclo[4.1.0]heptan-7-ol?
The canonical SMILES for 7-(4-methylthiophen-3-yl)bicyclo[4.1.0]heptan-7-ol is Cc1cscc1C1(O)C2CCCCC21.
What is the InChIKey of 7-(4-methylthiophen-3-yl)bicyclo[4.1.0]heptan-7-ol?
The InChIKey is ADJBZRPPRNBXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-8-6-14-7-11(8)12(13)9-4-2-3-5-10(9)12/h6-7,9-10,13H,2-5H2,1H3.
What are the key properties of 7-(4-methylthiophen-3-yl)bicyclo[4.1.0]heptan-7-ol?
7-(4-methylthiophen-3-yl)bicyclo[4.1.0]heptan-7-ol has a molecular weight of 208.33 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylthiophen-3-yl)bicyclo[4.1.0]heptan-7-ol is sourced from PubChem (CID 79808758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).