2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]ethanol

C13H13FO2 — CID 68837955

IUPAC2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]ethanol
SMILESCc1oc(-c2ccc(F)cc2)cc1CCO
InChIInChI=1S/C13H13FO2/c1-9-11(6-7-15)8-13(16-9)10-2-4-12(14)5-3-10/h2-5,8,15H,6-7H2,1H3
InChIKeySTPIYJBRSRBYLR-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.93
Rot. Bonds3

About 2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]ethanol

2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]ethanol (PubChem CID 68837955) has the molecular formula C13H13FO2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]ethanol
PubChem CID68837955
Molecular FormulaC13H13FO2
Molecular Weight220.24 g/mol
Exact Mass220.09
IUPAC Name2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]ethanol
SMILESCc1oc(-c2ccc(F)cc2)cc1CCO
InChIInChI=1S/C13H13FO2/c1-9-11(6-7-15)8-13(16-9)10-2-4-12(14)5-3-10/h2-5,8,15H,6-7H2,1H3
InChIKeySTPIYJBRSRBYLR-UHFFFAOYSA-N
XLogP2.93
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]ethanol?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]ethanol (CID 68837955) is 2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]ethanol.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]ethanol?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]ethanol is Cc1oc(-c2ccc(F)cc2)cc1CCO.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]ethanol?
The InChIKey is STPIYJBRSRBYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2/c1-9-11(6-7-15)8-13(16-9)10-2-4-12(14)5-3-10/h2-5,8,15H,6-7H2,1H3.
What are the key properties of 2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]ethanol?
2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]ethanol has a molecular weight of 220.24 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-2-methylfuran-3-yl]ethanol is sourced from PubChem (CID 68837955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).