2-(3-chlorothiophen-2-yl)-1-(2-methylcyclopropyl)ethanol

C10H13ClOS — CID 130534531

IUPAC2-(3-chlorothiophen-2-yl)-1-(2-methylcyclopropyl)ethanol
SMILESCC1CC1C(O)Cc1sccc1Cl
InChIInChI=1S/C10H13ClOS/c1-6-4-7(6)9(12)5-10-8(11)2-3-13-10/h2-3,6-7,9,12H,4-5H2,1H3
InChIKeyYVUHMTHKAIBGHQ-UHFFFAOYSA-N
MW216.73 g/mol
LogP2.96
Rot. Bonds3

About 2-(3-chlorothiophen-2-yl)-1-(2-methylcyclopropyl)ethanol

2-(3-chlorothiophen-2-yl)-1-(2-methylcyclopropyl)ethanol (PubChem CID 130534531) has the molecular formula C10H13ClOS and a molecular weight of 216.73 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-1-(2-methylcyclopropyl)ethanol.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-1-(2-methylcyclopropyl)ethanol
PubChem CID130534531
Molecular FormulaC10H13ClOS
Molecular Weight216.73 g/mol
Exact Mass216.04
IUPAC Name2-(3-chlorothiophen-2-yl)-1-(2-methylcyclopropyl)ethanol
SMILESCC1CC1C(O)Cc1sccc1Cl
InChIInChI=1S/C10H13ClOS/c1-6-4-7(6)9(12)5-10-8(11)2-3-13-10/h2-3,6-7,9,12H,4-5H2,1H3
InChIKeyYVUHMTHKAIBGHQ-UHFFFAOYSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.73
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chlorothiophen-3-yl)-1-(2-methylcyclopropyl)ethanol
CID 127008956
(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine
CID 80529926
1-chloro-3-(3-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol
CID 130534535
2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol
CID 112653482
N-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
CID 80529262
2-(3-chlorothiophen-2-yl)-1-(2-methoxyphenyl)ethanol
CID 112749460
2-(3-chlorothiophen-2-yl)-1-(3-methylcyclopentyl)ethanone
CID 130534501
(2R,6S)-N-[(3-chlorothiophen-2-yl)methyl]-2,6-dimethyloxan-4-amine
CID 124732360
1-(3-chlorothiophen-2-yl)undecan-2-amine
CID 112749736
3-[(3-chlorothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine
CID 112749641
1-(2-methylcyclopropyl)-2-thiophen-2-ylethanamine
CID 61078130
(2-chlorophenyl)-(2-methylcyclopropyl)methanol
CID 65421692

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-1-(2-methylcyclopropyl)ethanol?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-1-(2-methylcyclopropyl)ethanol (CID 130534531) is 2-(3-chlorothiophen-2-yl)-1-(2-methylcyclopropyl)ethanol.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-1-(2-methylcyclopropyl)ethanol?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-1-(2-methylcyclopropyl)ethanol is CC1CC1C(O)Cc1sccc1Cl.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-1-(2-methylcyclopropyl)ethanol?
The InChIKey is YVUHMTHKAIBGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClOS/c1-6-4-7(6)9(12)5-10-8(11)2-3-13-10/h2-3,6-7,9,12H,4-5H2,1H3.
What are the key properties of 2-(3-chlorothiophen-2-yl)-1-(2-methylcyclopropyl)ethanol?
2-(3-chlorothiophen-2-yl)-1-(2-methylcyclopropyl)ethanol has a molecular weight of 216.73 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-1-(2-methylcyclopropyl)ethanol is sourced from PubChem (CID 130534531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).