6-(4-methylthiophen-3-yl)bicyclo[3.1.0]hexan-6-ol

C11H14OS — CID 79808664

IUPAC6-(4-methylthiophen-3-yl)bicyclo[3.1.0]hexan-6-ol
SMILESCc1cscc1C1(O)C2CCCC21
InChIInChI=1S/C11H14OS/c1-7-5-13-6-10(7)11(12)8-3-2-4-9(8)11/h5-6,8-9,12H,2-4H2,1H3
InChIKeyFTBXHZQCKQSBPS-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.67
Rot. Bonds1

About 6-(4-methylthiophen-3-yl)bicyclo[3.1.0]hexan-6-ol

6-(4-methylthiophen-3-yl)bicyclo[3.1.0]hexan-6-ol (PubChem CID 79808664) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 6-(4-methylthiophen-3-yl)bicyclo[3.1.0]hexan-6-ol.

Molecular Properties

Compound Name6-(4-methylthiophen-3-yl)bicyclo[3.1.0]hexan-6-ol
PubChem CID79808664
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name6-(4-methylthiophen-3-yl)bicyclo[3.1.0]hexan-6-ol
SMILESCc1cscc1C1(O)C2CCCC21
InChIInChI=1S/C11H14OS/c1-7-5-13-6-10(7)11(12)8-3-2-4-9(8)11/h5-6,8-9,12H,2-4H2,1H3
InChIKeyFTBXHZQCKQSBPS-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylthiophen-3-yl)bicyclo[3.1.0]hexan-6-ol?
The IUPAC name of 6-(4-methylthiophen-3-yl)bicyclo[3.1.0]hexan-6-ol (CID 79808664) is 6-(4-methylthiophen-3-yl)bicyclo[3.1.0]hexan-6-ol.
What is the SMILES notation for 6-(4-methylthiophen-3-yl)bicyclo[3.1.0]hexan-6-ol?
The canonical SMILES for 6-(4-methylthiophen-3-yl)bicyclo[3.1.0]hexan-6-ol is Cc1cscc1C1(O)C2CCCC21.
What is the InChIKey of 6-(4-methylthiophen-3-yl)bicyclo[3.1.0]hexan-6-ol?
The InChIKey is FTBXHZQCKQSBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-7-5-13-6-10(7)11(12)8-3-2-4-9(8)11/h5-6,8-9,12H,2-4H2,1H3.
What are the key properties of 6-(4-methylthiophen-3-yl)bicyclo[3.1.0]hexan-6-ol?
6-(4-methylthiophen-3-yl)bicyclo[3.1.0]hexan-6-ol has a molecular weight of 194.30 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylthiophen-3-yl)bicyclo[3.1.0]hexan-6-ol is sourced from PubChem (CID 79808664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).