1-(5-chlorofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanol

C12H13ClO2S — CID 106693642

IUPAC1-(5-chlorofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanol
SMILESCCc1ccc(CC(O)c2ccc(Cl)o2)s1
InChIInChI=1S/C12H13ClO2S/c1-2-8-3-4-9(16-8)7-10(14)11-5-6-12(13)15-11/h3-6,10,14H,2,7H2,1H3
InChIKeyPXBHPPYPYWMMOL-UHFFFAOYSA-N
MW256.75 g/mol
LogP3.83
Rot. Bonds4

About 1-(5-chlorofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanol

1-(5-chlorofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanol (PubChem CID 106693642) has the molecular formula C12H13ClO2S and a molecular weight of 256.75 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanol
PubChem CID106693642
Molecular FormulaC12H13ClO2S
Molecular Weight256.75 g/mol
Exact Mass256.03
IUPAC Name1-(5-chlorofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanol
SMILESCCc1ccc(CC(O)c2ccc(Cl)o2)s1
InChIInChI=1S/C12H13ClO2S/c1-2-8-3-4-9(16-8)7-10(14)11-5-6-12(13)15-11/h3-6,10,14H,2,7H2,1H3
InChIKeyPXBHPPYPYWMMOL-UHFFFAOYSA-N
XLogP3.83
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanol?
The IUPAC name of 1-(5-chlorofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanol (CID 106693642) is 1-(5-chlorofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanol?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanol is CCc1ccc(CC(O)c2ccc(Cl)o2)s1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanol?
The InChIKey is PXBHPPYPYWMMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2S/c1-2-8-3-4-9(16-8)7-10(14)11-5-6-12(13)15-11/h3-6,10,14H,2,7H2,1H3.
What are the key properties of 1-(5-chlorofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanol?
1-(5-chlorofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanol has a molecular weight of 256.75 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanol is sourced from PubChem (CID 106693642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).