2-(3-methylthiophen-2-yl)bicyclo[2.1.1]hexan-2-ol

C11H14OS — CID 21051578

IUPAC2-(3-methylthiophen-2-yl)bicyclo[2.1.1]hexan-2-ol
SMILESCc1ccsc1C1(O)CC2CC1C2
InChIInChI=1S/C11H14OS/c1-7-2-3-13-10(7)11(12)6-8-4-9(11)5-8/h2-3,8-9,12H,4-6H2,1H3
InChIKeyZEVYEZSQZALDBC-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.67
Rot. Bonds1

About 2-(3-methylthiophen-2-yl)bicyclo[2.1.1]hexan-2-ol

2-(3-methylthiophen-2-yl)bicyclo[2.1.1]hexan-2-ol (PubChem CID 21051578) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)bicyclo[2.1.1]hexan-2-ol.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)bicyclo[2.1.1]hexan-2-ol
PubChem CID21051578
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name2-(3-methylthiophen-2-yl)bicyclo[2.1.1]hexan-2-ol
SMILESCc1ccsc1C1(O)CC2CC1C2
InChIInChI=1S/C11H14OS/c1-7-2-3-13-10(7)11(12)6-8-4-9(11)5-8/h2-3,8-9,12H,4-6H2,1H3
InChIKeyZEVYEZSQZALDBC-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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Related Compounds

1-Phenyl-1-(2-thienyl)ethan-1-ol
CID 4259300
3-Methyl-2-thiophen-2-ylbutan-2-ol
CID 11858909
1-Phenyl-1-thiophen-2-ylpropan-1-ol
CID 49962344
2-(1-Hydroxycyclopentyl)-thiophene
CID 592018
1-(5-Methylthiophen-2-yl)cyclobutan-1-ol
CID 79081218
(1R)-1-phenyl-1-thiophen-2-ylethanol
CID 674763
(1R)-1-phenyl-1-thiophen-3-ylethanol
CID 101440719
(4S,6R)-4-butyl-6-ethyl-6-methyl-5H-cyclopenta[b]thiophen-4-ol
CID 101487840
3-Methyl-1-phenyl-1-thiophen-2-ylbutan-1-ol
CID 122379920
(4S,6S)-4-butyl-6-ethyl-6-methyl-5H-cyclopenta[b]thiophen-4-ol
CID 135017116
(E)-2-phenyl-4-thiophen-2-ylbut-3-en-2-ol
CID 176424022
4-Fluoro-1-(5-methylthiophen-3-yl)-2,3-dihydroinden-1-ol
CID 83069254

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)bicyclo[2.1.1]hexan-2-ol?
The IUPAC name of 2-(3-methylthiophen-2-yl)bicyclo[2.1.1]hexan-2-ol (CID 21051578) is 2-(3-methylthiophen-2-yl)bicyclo[2.1.1]hexan-2-ol.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)bicyclo[2.1.1]hexan-2-ol?
The canonical SMILES for 2-(3-methylthiophen-2-yl)bicyclo[2.1.1]hexan-2-ol is Cc1ccsc1C1(O)CC2CC1C2.
What is the InChIKey of 2-(3-methylthiophen-2-yl)bicyclo[2.1.1]hexan-2-ol?
The InChIKey is ZEVYEZSQZALDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-7-2-3-13-10(7)11(12)6-8-4-9(11)5-8/h2-3,8-9,12H,4-6H2,1H3.
What are the key properties of 2-(3-methylthiophen-2-yl)bicyclo[2.1.1]hexan-2-ol?
2-(3-methylthiophen-2-yl)bicyclo[2.1.1]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-(3-methylthiophen-2-yl)bicyclo[2.1.1]hexan-2-ol is sourced from PubChem (CID 21051578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).