2-cyclopropyl-2-thiophen-2-ylethanol

C9H12OS — CID 64989110

IUPAC2-cyclopropyl-2-thiophen-2-ylethanol
SMILESOCC(c1cccs1)C1CC1
InChIInChI=1S/C9H12OS/c10-6-8(7-3-4-7)9-2-1-5-11-9/h1-2,5,7-8,10H,3-4,6H2
InChIKeyVETRASLQGDJFSO-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.23
Rot. Bonds3

About 2-cyclopropyl-2-thiophen-2-ylethanol

2-cyclopropyl-2-thiophen-2-ylethanol (PubChem CID 64989110) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is 2-cyclopropyl-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-cyclopropyl-2-thiophen-2-ylethanol
PubChem CID64989110
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name2-cyclopropyl-2-thiophen-2-ylethanol
SMILESOCC(c1cccs1)C1CC1
InChIInChI=1S/C9H12OS/c10-6-8(7-3-4-7)9-2-1-5-11-9/h1-2,5,7-8,10H,3-4,6H2
InChIKeyVETRASLQGDJFSO-UHFFFAOYSA-N
XLogP2.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-2-thiophen-2-ylethanamine
CID 55269689
cyclopropyl(thiophen-2-yl)methanamine
CID 5015827
1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol
CID 63296586
2-(thian-4-yl)-1-thiophen-2-ylethanol
CID 105079885
3-(cyclopropylamino)-2-thiophen-2-ylpropan-1-ol
CID 117240284
2-cyclobutyl-1-thiophen-2-ylethanol
CID 65456950
cyclopentyl(thiophen-2-yl)methanol
CID 43753540
2-[1-cyclopentyl-2-(4-phenylphenyl)ethyl]thiophene
CID 57261701
[1-[(1S)-1-thiophen-2-ylethyl]piperidin-4-yl]methanol
CID 97175553
1-thiophen-2-ylpropane-1,2,3-triol
CID 59769549
2-(4,4-dimethoxycyclohexyl)-2-thiophen-2-ylethanamine
CID 83975901
1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol
CID 63294884

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-thiophen-2-ylethanol?
The IUPAC name of 2-cyclopropyl-2-thiophen-2-ylethanol (CID 64989110) is 2-cyclopropyl-2-thiophen-2-ylethanol.
What is the SMILES notation for 2-cyclopropyl-2-thiophen-2-ylethanol?
The canonical SMILES for 2-cyclopropyl-2-thiophen-2-ylethanol is OCC(c1cccs1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-thiophen-2-ylethanol?
The InChIKey is VETRASLQGDJFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS/c10-6-8(7-3-4-7)9-2-1-5-11-9/h1-2,5,7-8,10H,3-4,6H2.
What are the key properties of 2-cyclopropyl-2-thiophen-2-ylethanol?
2-cyclopropyl-2-thiophen-2-ylethanol has a molecular weight of 168.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-thiophen-2-ylethanol is sourced from PubChem (CID 64989110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).