1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanol

C11H15ClO2S — CID 107359630

IUPAC1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanol
SMILESCCOC(C1CC1)C(O)c1sccc1Cl
InChIInChI=1S/C11H15ClO2S/c1-2-14-10(7-3-4-7)9(13)11-8(12)5-6-15-11/h5-7,9-10,13H,2-4H2,1H3
InChIKeyQXFWMMHMUXUIQV-UHFFFAOYSA-N
MW246.76 g/mol
LogP3.25
Rot. Bonds5

About 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanol

1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanol (PubChem CID 107359630) has the molecular formula C11H15ClO2S and a molecular weight of 246.76 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanol
PubChem CID107359630
Molecular FormulaC11H15ClO2S
Molecular Weight246.76 g/mol
Exact Mass246.05
IUPAC Name1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanol
SMILESCCOC(C1CC1)C(O)c1sccc1Cl
InChIInChI=1S/C11H15ClO2S/c1-2-14-10(7-3-4-7)9(13)11-8(12)5-6-15-11/h5-7,9-10,13H,2-4H2,1H3
InChIKeyQXFWMMHMUXUIQV-UHFFFAOYSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxyethanamine
CID 107360324
1-(3-chlorothiophen-2-yl)-2-cyclopropylpropan-1-ol
CID 83148451
1-(3-chlorothiophen-2-yl)-2-ethoxy-3,3-dimethylbutan-1-ol
CID 107359632
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanone
CID 107359451
3-chloro-2-(1-chloro-2-cyclopropylpropyl)thiophene
CID 83148975
3-(2-chlorophenyl)sulfanyl-1-cyclopropyl-1-ethoxypropan-2-ol
CID 116732119
(3-chlorothiophen-2-yl)-(4,4-dimethylcyclohexyl)methanol
CID 107359543
1-(3-chlorothiophen-2-yl)-2,2-diethoxy-N-methylethanamine
CID 107359970
2-cyclopropyl-1-(2,5-dimethylphenyl)-2-ethoxyethanol
CID 116712968
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
2-cyclohexyl-2-ethoxy-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 116772255
2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol
CID 116712902

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanol (CID 107359630) is 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanol is CCOC(C1CC1)C(O)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanol?
The InChIKey is QXFWMMHMUXUIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2S/c1-2-14-10(7-3-4-7)9(13)11-8(12)5-6-15-11/h5-7,9-10,13H,2-4H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanol?
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanol has a molecular weight of 246.76 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanol is sourced from PubChem (CID 107359630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).