2-(5-methylthiophen-2-yl)bicyclo[3.1.0]hexan-2-ol

C11H14OS — CID 130526016

IUPAC2-(5-methylthiophen-2-yl)bicyclo[3.1.0]hexan-2-ol
SMILESCc1ccc(C2(O)CCC3CC32)s1
InChIInChI=1S/C11H14OS/c1-7-2-3-10(13-7)11(12)5-4-8-6-9(8)11/h2-3,8-9,12H,4-6H2,1H3
InChIKeyCXHHMTCJMZONDX-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.67
Rot. Bonds1

About 2-(5-methylthiophen-2-yl)bicyclo[3.1.0]hexan-2-ol

2-(5-methylthiophen-2-yl)bicyclo[3.1.0]hexan-2-ol (PubChem CID 130526016) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)bicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)bicyclo[3.1.0]hexan-2-ol
PubChem CID130526016
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name2-(5-methylthiophen-2-yl)bicyclo[3.1.0]hexan-2-ol
SMILESCc1ccc(C2(O)CCC3CC32)s1
InChIInChI=1S/C11H14OS/c1-7-2-3-10(13-7)11(12)5-4-8-6-9(8)11/h2-3,8-9,12H,4-6H2,1H3
InChIKeyCXHHMTCJMZONDX-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 2-(5-methylthiophen-2-yl)bicyclo[3.1.0]hexan-2-ol?
The IUPAC name of 2-(5-methylthiophen-2-yl)bicyclo[3.1.0]hexan-2-ol (CID 130526016) is 2-(5-methylthiophen-2-yl)bicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)bicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for 2-(5-methylthiophen-2-yl)bicyclo[3.1.0]hexan-2-ol is Cc1ccc(C2(O)CCC3CC32)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)bicyclo[3.1.0]hexan-2-ol?
The InChIKey is CXHHMTCJMZONDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-7-2-3-10(13-7)11(12)5-4-8-6-9(8)11/h2-3,8-9,12H,4-6H2,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)bicyclo[3.1.0]hexan-2-ol?
2-(5-methylthiophen-2-yl)bicyclo[3.1.0]hexan-2-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 2-(5-methylthiophen-2-yl)bicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 130526016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).