2-[5-(4-chlorophenyl)furan-3-yl]ethanol

C12H11ClO2 — CID 175140902

IUPAC2-[5-(4-chlorophenyl)furan-3-yl]ethanol
SMILESOCCc1coc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C12H11ClO2/c13-11-3-1-10(2-4-11)12-7-9(5-6-14)8-15-12/h1-4,7-8,14H,5-6H2
InChIKeyOWHFRVFEEOYQAY-UHFFFAOYSA-N
MW222.67 g/mol
LogP3.13
Rot. Bonds3

About 2-[5-(4-chlorophenyl)furan-3-yl]ethanol

2-[5-(4-chlorophenyl)furan-3-yl]ethanol (PubChem CID 175140902) has the molecular formula C12H11ClO2 and a molecular weight of 222.67 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)furan-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)furan-3-yl]ethanol
PubChem CID175140902
Molecular FormulaC12H11ClO2
Molecular Weight222.67 g/mol
Exact Mass222.04
IUPAC Name2-[5-(4-chlorophenyl)furan-3-yl]ethanol
SMILESOCCc1coc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C12H11ClO2/c13-11-3-1-10(2-4-11)12-7-9(5-6-14)8-15-12/h1-4,7-8,14H,5-6H2
InChIKeyOWHFRVFEEOYQAY-UHFFFAOYSA-N
XLogP3.13
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)furan-3-yl]ethanol?
The IUPAC name of 2-[5-(4-chlorophenyl)furan-3-yl]ethanol (CID 175140902) is 2-[5-(4-chlorophenyl)furan-3-yl]ethanol.
What is the SMILES notation for 2-[5-(4-chlorophenyl)furan-3-yl]ethanol?
The canonical SMILES for 2-[5-(4-chlorophenyl)furan-3-yl]ethanol is OCCc1coc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[5-(4-chlorophenyl)furan-3-yl]ethanol?
The InChIKey is OWHFRVFEEOYQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO2/c13-11-3-1-10(2-4-11)12-7-9(5-6-14)8-15-12/h1-4,7-8,14H,5-6H2.
What are the key properties of 2-[5-(4-chlorophenyl)furan-3-yl]ethanol?
2-[5-(4-chlorophenyl)furan-3-yl]ethanol has a molecular weight of 222.67 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)furan-3-yl]ethanol is sourced from PubChem (CID 175140902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).