1-[5-(2-chlorophenyl)furan-2-yl]ethanol

C12H11ClO2 — CID 62497927

IUPAC1-[5-(2-chlorophenyl)furan-2-yl]ethanol
SMILESCC(O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C12H11ClO2/c1-8(14)11-6-7-12(15-11)9-4-2-3-5-10(9)13/h2-8,14H,1H3
InChIKeyJUSKKACAUKHJFE-UHFFFAOYSA-N
MW222.67 g/mol
LogP3.65
Rot. Bonds2

About 1-[5-(2-chlorophenyl)furan-2-yl]ethanol

1-[5-(2-chlorophenyl)furan-2-yl]ethanol (PubChem CID 62497927) has the molecular formula C12H11ClO2 and a molecular weight of 222.67 g/mol. Its IUPAC name is 1-[5-(2-chlorophenyl)furan-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-(2-chlorophenyl)furan-2-yl]ethanol
PubChem CID62497927
Molecular FormulaC12H11ClO2
Molecular Weight222.67 g/mol
Exact Mass222.04
IUPAC Name1-[5-(2-chlorophenyl)furan-2-yl]ethanol
SMILESCC(O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C12H11ClO2/c1-8(14)11-6-7-12(15-11)9-4-2-3-5-10(9)13/h2-8,14H,1H3
InChIKeyJUSKKACAUKHJFE-UHFFFAOYSA-N
XLogP3.65
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chlorophenyl)furan-2-yl]ethanol?
The IUPAC name of 1-[5-(2-chlorophenyl)furan-2-yl]ethanol (CID 62497927) is 1-[5-(2-chlorophenyl)furan-2-yl]ethanol.
What is the SMILES notation for 1-[5-(2-chlorophenyl)furan-2-yl]ethanol?
The canonical SMILES for 1-[5-(2-chlorophenyl)furan-2-yl]ethanol is CC(O)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 1-[5-(2-chlorophenyl)furan-2-yl]ethanol?
The InChIKey is JUSKKACAUKHJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO2/c1-8(14)11-6-7-12(15-11)9-4-2-3-5-10(9)13/h2-8,14H,1H3.
What are the key properties of 1-[5-(2-chlorophenyl)furan-2-yl]ethanol?
1-[5-(2-chlorophenyl)furan-2-yl]ethanol has a molecular weight of 222.67 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chlorophenyl)furan-2-yl]ethanol is sourced from PubChem (CID 62497927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).