2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanol

C12H18OS — CID 115802549

IUPAC2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanol
SMILESCCc1ccsc1C(O)CC1CCC1
InChIInChI=1S/C12H18OS/c1-2-10-6-7-14-12(10)11(13)8-9-4-3-5-9/h6-7,9,11,13H,2-5,8H2,1H3
InChIKeyRDVHOWODOLOQAF-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.53
Rot. Bonds4

About 2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanol

2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanol (PubChem CID 115802549) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanol
PubChem CID115802549
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanol
SMILESCCc1ccsc1C(O)CC1CCC1
InChIInChI=1S/C12H18OS/c1-2-10-6-7-14-12(10)11(13)8-9-4-3-5-9/h6-7,9,11,13H,2-5,8H2,1H3
InChIKeyRDVHOWODOLOQAF-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 115863467
2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 104986347
2-cyclohexyl-1-(3-methoxythiophen-2-yl)ethanol
CID 115786210
(1S)-3-amino-1-(3-ethylthiophen-2-yl)propan-1-ol
CID 96854417
1-(3-ethylcyclohexyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 104992362
1-(3-ethylthiophen-2-yl)-3-methylpentan-1-ol
CID 115789383
1-(3-ethylthiophen-2-yl)-2-phenylethanol
CID 79975807
2-cyclobutyl-1-thiophen-2-ylethanol
CID 65456950
2-cyclopentyl-1-(2-ethylphenyl)ethanol
CID 65150347
2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol
CID 102829334
N-[2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 104986473
N-[(3-ethylcyclohexyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 104992458

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanol?
The IUPAC name of 2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanol (CID 115802549) is 2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanol?
The canonical SMILES for 2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanol is CCc1ccsc1C(O)CC1CCC1.
What is the InChIKey of 2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanol?
The InChIKey is RDVHOWODOLOQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-2-10-6-7-14-12(10)11(13)8-9-4-3-5-9/h6-7,9,11,13H,2-5,8H2,1H3.
What are the key properties of 2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanol?
2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanol has a molecular weight of 210.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanol is sourced from PubChem (CID 115802549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).