2-(5-chlorothiophen-2-yl)-2-cyclopropylethanol

C9H11ClOS — CID 82076672

IUPAC2-(5-chlorothiophen-2-yl)-2-cyclopropylethanol
SMILESOCC(c1ccc(Cl)s1)C1CC1
InChIInChI=1S/C9H11ClOS/c10-9-4-3-8(12-9)7(5-11)6-1-2-6/h3-4,6-7,11H,1-2,5H2
InChIKeyZGKMMAIJQUJUGJ-UHFFFAOYSA-N
MW202.71 g/mol
LogP2.89
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-2-cyclopropylethanol

2-(5-chlorothiophen-2-yl)-2-cyclopropylethanol (PubChem CID 82076672) has the molecular formula C9H11ClOS and a molecular weight of 202.71 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-2-cyclopropylethanol.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-2-cyclopropylethanol
PubChem CID82076672
Molecular FormulaC9H11ClOS
Molecular Weight202.71 g/mol
Exact Mass202.02
IUPAC Name2-(5-chlorothiophen-2-yl)-2-cyclopropylethanol
SMILESOCC(c1ccc(Cl)s1)C1CC1
InChIInChI=1S/C9H11ClOS/c10-9-4-3-8(12-9)7(5-11)6-1-2-6/h3-4,6-7,11H,1-2,5H2
InChIKeyZGKMMAIJQUJUGJ-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-thiophen-2-ylethanol
CID 64989110
2-(5-chlorothiophen-2-yl)-3-(cyclopropylamino)propan-1-ol
CID 117240288
2-(5-bromothiophen-2-yl)-2-piperidin-4-ylethanol
CID 116825149
(5-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105173547
(5-chlorothiophen-2-yl)-(3,4-dimethylcyclohexyl)methanol
CID 64738002
3-(5-chlorothiophen-2-yl)-1-cyclopropylpropan-1-ol
CID 63357723
1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine
CID 115863512
1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 116723193
2-(5-chlorothiophen-2-yl)-2-cyclobutylacetic acid
CID 68972905
(R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride
CID 171200582
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol
CID 82286142

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-2-cyclopropylethanol?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-2-cyclopropylethanol (CID 82076672) is 2-(5-chlorothiophen-2-yl)-2-cyclopropylethanol.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-2-cyclopropylethanol?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-2-cyclopropylethanol is OCC(c1ccc(Cl)s1)C1CC1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-2-cyclopropylethanol?
The InChIKey is ZGKMMAIJQUJUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClOS/c10-9-4-3-8(12-9)7(5-11)6-1-2-6/h3-4,6-7,11H,1-2,5H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-2-cyclopropylethanol?
2-(5-chlorothiophen-2-yl)-2-cyclopropylethanol has a molecular weight of 202.71 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-2-cyclopropylethanol is sourced from PubChem (CID 82076672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).