1-(3-chlorothiophen-2-yl)-2-(oxan-4-yl)ethanol

C11H15ClO2S — CID 115789625

IUPAC1-(3-chlorothiophen-2-yl)-2-(oxan-4-yl)ethanol
SMILESOC(CC1CCOCC1)c1sccc1Cl
InChIInChI=1S/C11H15ClO2S/c12-9-3-6-15-11(9)10(13)7-8-1-4-14-5-2-8/h3,6,8,10,13H,1-2,4-5,7H2
InChIKeyGAIOBMSGVNMHPZ-UHFFFAOYSA-N
MW246.76 g/mol
LogP3.25
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-2-(oxan-4-yl)ethanol

1-(3-chlorothiophen-2-yl)-2-(oxan-4-yl)ethanol (PubChem CID 115789625) has the molecular formula C11H15ClO2S and a molecular weight of 246.76 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(oxan-4-yl)ethanol
PubChem CID115789625
Molecular FormulaC11H15ClO2S
Molecular Weight246.76 g/mol
Exact Mass246.05
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(oxan-4-yl)ethanol
SMILESOC(CC1CCOCC1)c1sccc1Cl
InChIInChI=1S/C11H15ClO2S/c12-9-3-6-15-11(9)10(13)7-8-1-4-14-5-2-8/h3,6,8,10,13H,1-2,4-5,7H2
InChIKeyGAIOBMSGVNMHPZ-UHFFFAOYSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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1-(3-chloro-4-methylphenyl)-2-(oxan-4-yl)ethanol
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N-[1-(3-chlorothiophen-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
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3-chloro-2-(1-chloro-2-cyclopropylpropyl)thiophene
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(oxan-4-yl)ethanol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(oxan-4-yl)ethanol (CID 115789625) is 1-(3-chlorothiophen-2-yl)-2-(oxan-4-yl)ethanol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(oxan-4-yl)ethanol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(oxan-4-yl)ethanol is OC(CC1CCOCC1)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(oxan-4-yl)ethanol?
The InChIKey is GAIOBMSGVNMHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2S/c12-9-3-6-15-11(9)10(13)7-8-1-4-14-5-2-8/h3,6,8,10,13H,1-2,4-5,7H2.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(oxan-4-yl)ethanol?
1-(3-chlorothiophen-2-yl)-2-(oxan-4-yl)ethanol has a molecular weight of 246.76 g/mol, XLogP of 3.25, 3 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-(oxan-4-yl)ethanol is sourced from PubChem (CID 115789625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).