2-(3-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol

C15H17FO2 — CID 65152206

IUPAC2-(3-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
SMILESCc1oc(C)c(C(O)Cc2cccc(F)c2)c1C
InChIInChI=1S/C15H17FO2/c1-9-10(2)18-11(3)15(9)14(17)8-12-5-4-6-13(16)7-12/h4-7,14,17H,8H2,1-3H3
InChIKeyICIHTEJLEFEGQF-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.62
Rot. Bonds3

About 2-(3-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol

2-(3-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol (PubChem CID 65152206) has the molecular formula C15H17FO2 and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
PubChem CID65152206
Molecular FormulaC15H17FO2
Molecular Weight248.30 g/mol
Exact Mass248.12
IUPAC Name2-(3-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
SMILESCc1oc(C)c(C(O)Cc2cccc(F)c2)c1C
InChIInChI=1S/C15H17FO2/c1-9-10(2)18-11(3)15(9)14(17)8-12-5-4-6-13(16)7-12/h4-7,14,17H,8H2,1-3H3
InChIKeyICIHTEJLEFEGQF-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 114981981
2-pyridin-4-yl-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 66461098
2-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63016416
2-(3-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol
CID 61101540
1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol
CID 115484522
(2R)-1-(3-fluorophenyl)pentan-2-ol
CID 89187255
2-(3-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanol
CID 103303315
1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 63016216
2-(2-chlorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 65152747
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
1-(3-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 60798027
ethane;1-(3-fluorophenyl)pentan-2-ol
CID 143267785

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol?
The IUPAC name of 2-(3-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol (CID 65152206) is 2-(3-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol?
The canonical SMILES for 2-(3-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol is Cc1oc(C)c(C(O)Cc2cccc(F)c2)c1C.
What is the InChIKey of 2-(3-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol?
The InChIKey is ICIHTEJLEFEGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO2/c1-9-10(2)18-11(3)15(9)14(17)8-12-5-4-6-13(16)7-12/h4-7,14,17H,8H2,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol?
2-(3-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol has a molecular weight of 248.30 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol is sourced from PubChem (CID 65152206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).