(5-ethylfuran-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol

C15H17FO2 — CID 106879516

IUPAC(5-ethylfuran-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
SMILESCCc1ccc(C(O)c2c(C)cc(F)cc2C)o1
InChIInChI=1S/C15H17FO2/c1-4-12-5-6-13(18-12)15(17)14-9(2)7-11(16)8-10(14)3/h5-8,15,17H,4H2,1-3H3
InChIKeyBLYAMMOXHHMCHM-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.68
Rot. Bonds3

About (5-ethylfuran-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol

(5-ethylfuran-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol (PubChem CID 106879516) has the molecular formula C15H17FO2 and a molecular weight of 248.30 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
PubChem CID106879516
Molecular FormulaC15H17FO2
Molecular Weight248.30 g/mol
Exact Mass248.12
IUPAC Name(5-ethylfuran-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
SMILESCCc1ccc(C(O)c2c(C)cc(F)cc2C)o1
InChIInChI=1S/C15H17FO2/c1-4-12-5-6-13(18-12)15(17)14-9(2)7-11(16)8-10(14)3/h5-8,15,17H,4H2,1-3H3
InChIKeyBLYAMMOXHHMCHM-UHFFFAOYSA-N
XLogP3.68
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-ethylfuran-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol?
The IUPAC name of (5-ethylfuran-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol (CID 106879516) is (5-ethylfuran-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol.
What is the SMILES notation for (5-ethylfuran-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol?
The canonical SMILES for (5-ethylfuran-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol is CCc1ccc(C(O)c2c(C)cc(F)cc2C)o1.
What is the InChIKey of (5-ethylfuran-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol?
The InChIKey is BLYAMMOXHHMCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO2/c1-4-12-5-6-13(18-12)15(17)14-9(2)7-11(16)8-10(14)3/h5-8,15,17H,4H2,1-3H3.
What are the key properties of (5-ethylfuran-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol?
(5-ethylfuran-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol has a molecular weight of 248.30 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuran-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol is sourced from PubChem (CID 106879516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).